Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20939585

Structure

InChI Key HVKQOPBXSVRTFF-UHFFFAOYSA-N
Smiles N(CCCC)(CCCC)CC(CC)CCCC
InChI
InChI=1/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H35N
Molecular Weight 241.28
AlogP 5.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 3.24
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 18240-51-2
NORMAN SUSDAT
PubChem 86683