9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine

C12H21N — CID 91603246

IUPAC9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine
SMILESCCC1=CC(C)CCCC/C(C)=N\1
InChIInChI=1S/C12H21N/c1-4-12-9-10(2)7-5-6-8-11(3)13-12/h9-10H,4-8H2,1-3H3/b12-9?,13-11-
InChIKeyIJKMJIYFJTXHOZ-QKKIICIQSA-N
MW179.31 g/mol
LogP3.95
Rot. Bonds1

About 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine

9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine (PubChem CID 91603246) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine.

Molecular Properties

Compound Name9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine
PubChem CID91603246
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine
SMILESCCC1=CC(C)CCCC/C(C)=N\1
InChIInChI=1S/C12H21N/c1-4-12-9-10(2)7-5-6-8-11(3)13-12/h9-10H,4-8H2,1-3H3/b12-9?,13-11-
InChIKeyIJKMJIYFJTXHOZ-QKKIICIQSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine?
The IUPAC name of 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine (CID 91603246) is 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine.
What is the SMILES notation for 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine?
The canonical SMILES for 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine is CCC1=CC(C)CCCC/C(C)=N\1.
What is the InChIKey of 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine?
The InChIKey is IJKMJIYFJTXHOZ-QKKIICIQSA-N. The full InChI is InChI=1S/C12H21N/c1-4-12-9-10(2)7-5-6-8-11(3)13-12/h9-10H,4-8H2,1-3H3/b12-9?,13-11-.
What are the key properties of 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine?
9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine has a molecular weight of 179.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,7-dimethyl-4,5,6,7-tetrahydro-3H-azonine is sourced from PubChem (CID 91603246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).