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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:20:11 UTC
Update Date2025-03-24 16:47:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00963158
Frequency1.5
Structure
Chemical FormulaC7H14N2
Molecular Mass126.1157
SMILESCN1CC2CN(C)C2C1
InChI KeyXNAUAJNGHNGNHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,4-diazepanes
Direct Parent 1,4-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • 1,4-diazepane
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • azetidine
  • aliphatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine