Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HR4264OL41
EPA CompTox DTXSID9042209

Structure

InChI Key YJLYANLCNIKXMG-UHFFFAOYSA-N
Smiles CCCCCCCCN(C)CCCCCCCC
InChI
InChI=1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/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 4455-26-9
NORMAN SUSDAT
FDA SRS HR4264OL41
PubChem 78202
ChemSpider 70578.0