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

Structure

InChI Key VLSNGHXZFCXIFJ-FICVDOATSA-N
Smiles O=C(OC1CC2N(C)C(CC2)C1)C(CCC)CCC
InChI
InChI=1/C16H29NO2/c1-4-6-12(7-5-2)16(18)19-15-10-13-8-9-14(11-15)17(13)3/h12-15H,4-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29NO2
Molecular Weight 267.22
AlogP 3.37
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 29.54
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 25333-49-7
NORMAN SUSDAT
PubChem 580029