Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20871451

Structure

InChI Key AWBMXILPKKHYSO-UHFFFAOYSA-N
Smiles NCCC(C)CCC
InChI
InChI=1/C7H17N/c1-3-4-7(2)5-6-8/h7H,3-6,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N
Molecular Weight 115.14
AlogP 1.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 65530-93-0
NORMAN SUSDAT
PubChem 103411