| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:45 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2 |
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| Molecular Mass | 240.1626 |
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| SMILES | CN1CCc2cc(C#N)ccc2C1C1CCCC1 |
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| InChI Key | XGJYVKINSSVISI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganopnictogen compoundstrialkylamines |
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| Substituents | nitrileazacycletertiary aliphatic aminearalkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amine |
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