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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:27:12 UTC
Update Date2025-03-21 22:18:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00549767
Frequency3.0
Structure
Chemical FormulaC8H16N2
Molecular Mass140.1313
SMILESCN1CC2CCC(C1)N2C
InChI KeyHWTLFOPXWFNIAJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • n-methylpiperazines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • azacycle
  • n-alkylpyrrolidine
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • aliphatic heteropolycyclic compound
  • azepane
  • piperazine
  • 1,4-diazinane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine