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

Structure

InChI Key ZJGRZPCOLBDFIZ-UHFFFAOYSA-N
Smiles NCCCCOCCCCOCCCCN
InChI
InChI=1S/C12H28N2O2/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28N2O2
Molecular Weight 232.22
AlogP 1.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 70.5
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 27417-83-0
NORMAN SUSDAT