Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R6RH2ZGG79
EPA CompTox DTXSID00202986

Structure

InChI Key PGAQYUJUOZNEOE-UHFFFAOYSA-N
Smiles CC(C)CN(CC(C)C)C(C(C)C)C(C)C
InChI
InChI=1S/C15H33N/c1-11(2)9-16(10-12(3)4)15(13(5)6)14(7)8/h11-15H,9-10H2,1-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H33N1
Molecular Weight 227.26
AlogP 4.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 3.24
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 54561-97-6
NORMAN SUSDAT
FDA SRS R6RH2ZGG79
PubChem 3016892
ChemSpider 2284744.0