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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:19:26 UTC
Update Date2025-03-24 16:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00961375
Frequency1.5
Structure
Chemical FormulaC7H12N2O
Molecular Mass140.095
SMILESCC(=O)C1=NCCN(C)C1
InChI KeyZYHHEOLODRQFQN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-amino ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • ketimine
  • azacycle
  • imine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • beta-aminoketone
  • amine
  • tertiary amine
  • organoheterocyclic compound