Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 05:29:50 UTC |
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Updated at | 2022-09-12 05:29:51 UTC |
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NP-MRD ID | NP0325041 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(1,7-dimethyl-octahydro-2h-quinolin-5-yl)methyl]-3,4,5,6-tetrahydropyridin-1-ium-1-olate |
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Description | 6-[(1,7-Dimethyl-decahydroquinolin-5-yl)methyl]-2,3,4,5-tetrahydro-1λ⁵-pyridin-1-one belongs to the class of organic compounds known as quinolidines. These are organic compounds containing a quinolidine or decahydroquinoline moiety, which is a bicyclic skeleton consisting of a piperidine fused to a cyclohexane ring. 2-[(1,7-dimethyl-octahydro-2h-quinolin-5-yl)methyl]-3,4,5,6-tetrahydropyridin-1-ium-1-olate is found in Huperzia serrata. 6-[(1,7-Dimethyl-decahydroquinolin-5-yl)methyl]-2,3,4,5-tetrahydro-1λ⁵-pyridin-1-one is a very strong basic compound (based on its pKa). |
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Structure | CC1CC(CC2=[N+]([O-])CCCC2)C2CCCN(C)C2C1 InChI=1S/C17H30N2O/c1-13-10-14(12-15-6-3-4-9-19(15)20)16-7-5-8-18(2)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C17H30N2O |
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Average Mass | 278.4400 Da |
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Monoisotopic Mass | 278.23581 Da |
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IUPAC Name | 6-[(1,7-dimethyl-decahydroquinolin-5-yl)methyl]-2,3,4,5-tetrahydropyridin-1-ium-1-olate |
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Traditional Name | 2-[(1,7-dimethyl-octahydro-2H-quinolin-5-yl)methyl]-3,4,5,6-tetrahydropyridin-1-ium-1-olate |
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CAS Registry Number | Not Available |
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SMILES | CC1CC(CC2=[N+]([O-])CCCC2)C2CCCN(C)C2C1 |
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InChI Identifier | InChI=1S/C17H30N2O/c1-13-10-14(12-15-6-3-4-9-19(15)20)16-7-5-8-18(2)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3 |
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InChI Key | WOJLHVINQPZVFH-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as quinolidines. These are organic compounds containing a quinolidine or decahydroquinoline moiety, which is a bicyclic skeleton consisting of a piperidine fused to a cyclohexane ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolidines |
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Sub Class | Not Available |
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Direct Parent | Quinolidines |
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Alternative Parents | |
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Substituents | - Quinolidine
- Tetrahydropyridine
- Piperidine
- Nitrone
- Tertiary amine
- Tertiary aliphatic amine
- Allyl-type 1,3-dipolar organic compound
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Organonitrogen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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