2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine

C12H19N — CID 91035762

IUPAC2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine
SMILESCC1CC=NC(=C2CCCCC2)C1
InChIInChI=1S/C12H19N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h8,10H,2-7,9H2,1H3
InChIKeyYXHZWAPJFQQKML-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.71
Rot. Bonds

About 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine

2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine (PubChem CID 91035762) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Name2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine
PubChem CID91035762
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine
SMILESCC1CC=NC(=C2CCCCC2)C1
InChIInChI=1S/C12H19N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h8,10H,2-7,9H2,1H3
InChIKeyYXHZWAPJFQQKML-UHFFFAOYSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-Ethyl-6-propan-2-yl-3,4-dihydropyridine
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2-cyclopropylidene-5-ethyl-4,5-dihydro-3H-pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine?
The IUPAC name of 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine (CID 91035762) is 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine.
What is the SMILES notation for 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine?
The canonical SMILES for 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine is CC1CC=NC(=C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine?
The InChIKey is YXHZWAPJFQQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h8,10H,2-7,9H2,1H3.
What are the key properties of 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine?
2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-4-methyl-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 91035762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).