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

Structure

InChI Key HXXJMMLIEYAFOZ-UHFFFAOYSA-N
Smiles OCC1N(C)CCCC1
InChI
InChI=1/C7H15NO/c1-8-5-3-2-4-7(8)6-9/h7,9H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO
Molecular Weight 129.12
AlogP 0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.47
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 20845-34-5
NORMAN SUSDAT
PubChem 89394