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

Structure

InChI Key IWNIYAALLZXYPP-UHFFFAOYSA-N
Smiles CC(C)CCCOCCCN
InChI
InChI=1S/C9H21NO/c1-9(2)5-3-7-11-8-4-6-10/h9H,3-8,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1O1
Molecular Weight 159.16
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 35.25
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68479-00-5
NORMAN SUSDAT