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

Structure

InChI Key FZASHPCRPMSFEG-UHFFFAOYSA-N
Smiles OCC(C)CN(C)C
InChI
InChI=1/C6H15NO/c1-6(5-8)4-7(2)3/h6,8H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15NO
Molecular Weight 117.12
AlogP 0.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 33622-41-2
NORMAN SUSDAT
PubChem 118095