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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:46:46 UTC
Update Date2025-03-24 14:34:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00882541
Frequency1.7
Structure
Chemical FormulaC7H12N2O
Molecular Mass140.095
SMILESCN1C2CNCC1C1OC12
InChI KeyBSNJYEANGZKPMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkyl ethers
  • dialkylamines
  • epoxides
  • hydrocarbon derivatives
  • morpholines
  • n-alkylpyrrolidines
  • n-methylpiperazines
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
    • Substituents
  • ether
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • piperazine
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • secondary aliphatic amine
  • azacycle
  • n-alkylpyrrolidine
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • oxirane
  • n-methylpiperazine
  • secondary amine
  • oxazinane
  • oxacycle
  • morpholine
  • azepane
  • organic oxygen compound
  • 1,4-diazinane
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound