Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80865790

Structure

InChI Key IDWRJRPUIXRFRX-UHFFFAOYSA-N
Smiles N1CC(C)CC(C)C1
InChI
InChI=1/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N
Molecular Weight 113.12
AlogP 1.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 35794-11-7
NORMAN SUSDAT
PubChem 118259