Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4758KDH62A

Structure

InChI Key RWMSXNCJNSILON-UHFFFAOYSA-N
Smiles CCCC(CCC)CC1CCN(CCO)CC1
InChI
InChI=1S/C15H31NO/c1-3-5-14(6-4-2)13-15-7-9-16(10-8-15)11-12-17/h14-15,17H,3-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H31N1O1
Molecular Weight 241.24
AlogP 3.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 23.47
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 71138-71-1
NORMAN SUSDAT
FDA SRS 4758KDH62A