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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:54:49 UTC
Update Date2025-03-24 20:05:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01335037
Frequency1.0
Structure
Chemical FormulaC7H12N2
Molecular Mass124.1
SMILESCN1C2C=NCC1CC2
InChI KeyHISUKUAWTVZRGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • imines
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • imine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • azepine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine