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

Structure

InChI Key KWVGNFYNLMFPPE-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCC1NCCN1CCO
InChI
InChI=1S/C23H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26/h23-24,26H,2-22H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H48N2O1
Molecular Weight 368.38
AlogP 5.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 19.0
Polar Surface Area 35.5
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 31866-76-9
NORMAN SUSDAT