1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine

C12H21N — CID 23396928

IUPAC1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h7,12H,2-6,8-10H2,1H3
InChIKeyFYNLZDLHSBJKCO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.97
Rot. Bonds1

About 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine

1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 23396928) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID23396928
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h7,12H,2-6,8-10H2,1H3
InChIKeyFYNLZDLHSBJKCO-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine 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 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine (CID 23396928) is 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is FYNLZDLHSBJKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h7,12H,2-6,8-10H2,1H3.
What are the key properties of 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine?
1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 23396928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).