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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:16:30 UTC
Update Date2025-03-24 16:45:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00954051
Frequency1.5
Structure
Chemical FormulaC6H10N2
Molecular Mass110.0844
SMILESC1CC2=NC(C1)NC2
InChI KeySXSIISHFRGOGMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • imidazolines
  • ketimines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tetrahydropyridines
    • Substituents
  • secondary aliphatic amine
  • ketimine
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteropolycyclic compound
  • azepane
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine