(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine

C12H21N — CID 137435164

IUPAC(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine
SMILESCCC1/C=N/C=C\CCC(C)CC1
InChIInChI=1S/C12H21N/c1-3-12-8-7-11(2)6-4-5-9-13-10-12/h5,9-12H,3-4,6-8H2,1-2H3/b9-5-,13-10+
InChIKeyFWQCUZKKGDIBNP-NAQFLYIJSA-N
MW179.31 g/mol
LogP3.81
Rot. Bonds1

About (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine

(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine (PubChem CID 137435164) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine.

Molecular Properties

Compound Name(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine
PubChem CID137435164
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine
SMILESCCC1/C=N/C=C\CCC(C)CC1
InChIInChI=1S/C12H21N/c1-3-12-8-7-11(2)6-4-5-9-13-10-12/h5,9-12H,3-4,6-8H2,1-2H3/b9-5-,13-10+
InChIKeyFWQCUZKKGDIBNP-NAQFLYIJSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine 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 (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine?
The IUPAC name of (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine (CID 137435164) is (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine.
What is the SMILES notation for (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine?
The canonical SMILES for (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine is CCC1/C=N/C=C\CCC(C)CC1.
What is the InChIKey of (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine?
The InChIKey is FWQCUZKKGDIBNP-NAQFLYIJSA-N. The full InChI is InChI=1S/C12H21N/c1-3-12-8-7-11(2)6-4-5-9-13-10-12/h5,9-12H,3-4,6-8H2,1-2H3/b9-5-,13-10+.
What are the key properties of (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine?
(9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine has a molecular weight of 179.31 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-3-ethyl-6-methyl-3,4,5,6,7,8-hexahydroazecine is sourced from PubChem (CID 137435164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).