Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DT67WL708F
EPA CompTox DTXSID10868552

Structure

InChI Key QSFOWAYMMZCQNF-UHFFFAOYSA-N
Smiles CCCC(CCC)CCCC1COCCN1CCO
InChI
InChI=1S/C16H33NO2/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18/h15-16,18H,3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33N1O2
Molecular Weight 271.25
AlogP 3.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 32.7
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 79874-76-3
NORMAN SUSDAT
FDA SRS DT67WL708F