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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:45:13 UTC
Update Date2025-03-24 20:53:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01598268
Frequency0.8
Structure
Chemical FormulaC7H14N2
Molecular Mass126.1157
SMILESCN1C2CCNC1CC2
InChI KeyQQBKQLUSIBARLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • aminals
  • azacyclic compounds
  • dialkylamines
  • diazinanes
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • aminal
  • secondary amine
  • aliphatic heteropolycyclic compound
  • 1,3-diazinane
  • azepane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine