Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40170190

Structure

InChI Key SNHHYQWNNZIBLN-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCN(C)C
InChI
InChI=1S/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h4-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H37N1
Molecular Weight 255.29
AlogP 5.64
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 3.24
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 17678-60-3
NORMAN SUSDAT
PubChem 87232
ChemSpider 78689.0