Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3BZH67NNQ7
EPA CompTox DTXSID30962309

Structure

InChI Key FKZSSFLBNYYIDS-UHFFFAOYSA-N
Smiles N#CCC(C)CCCCCC
InChI
InChI=1/C10H19N/c1-3-4-5-6-7-10(2)8-9-11/h10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N
Molecular Weight 153.15
AlogP 3.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.79
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 42144-33-2
NORMAN SUSDAT
FDA SRS 3BZH67NNQ7
PubChem 3016325