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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:46:40 UTC
Update Date2025-03-24 20:28:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01457494
Frequency0.9
Structure
Chemical FormulaC7H14N2
Molecular Mass126.1157
SMILESCC1=NCCC(CN)C1
InChI KeyJSYMWGHXTLBBDQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound