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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:12:01 UTC
Update Date2025-03-25 00:36:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02090566
Frequency0.6
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESOC12CCN(CNC1)C2
InChI KeyXHVQPGADQANYTF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • aminals
  • azacyclic compounds
  • dialkylamines
  • diazinanes
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • 1,3-diazepane
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • aminal
  • secondary amine
  • aliphatic heteropolycyclic compound
  • 1,3-diazinane
  • tertiary alcohol
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine