Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60871495

Structure

InChI Key KFYKZKISJBGVMR-UHFFFAOYSA-N
Smiles N(CC)C(C)CC
InChI
InChI=1/C6H15N/c1-4-6(3)7-5-2/h6-7H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N
Molecular Weight 101.12
AlogP 1.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.03
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 21035-44-9
NORMAN SUSDAT
PubChem 89416