Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X49C572YQO
EPA CompTox DTXSID60861715

Structure

InChI Key YAHRDLICUYEDAU-UHFFFAOYSA-N
Smiles CCC(C)CC(C)N
InChI
InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1
Molecular Weight 115.14
AlogP 1.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 105-41-9
NORMAN SUSDAT
FDA SRS X49C572YQO
PubChem 7753
ChemSpider 7467.0