2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine

C19H27N — CID 45380038

IUPAC2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine
SMILESc1ccc(CC(=C2CCCCC2)C2CCCCC2)nc1
InChIInChI=1S/C19H27N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h7-8,13-14,16H,1-6,9-12,15H2
InChIKeyMSUZIAGJXNHZRY-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.47
Rot. Bonds3

About 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine

2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine (PubChem CID 45380038) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine
PubChem CID45380038
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine
SMILESc1ccc(CC(=C2CCCCC2)C2CCCCC2)nc1
InChIInChI=1S/C19H27N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h7-8,13-14,16H,1-6,9-12,15H2
InChIKeyMSUZIAGJXNHZRY-UHFFFAOYSA-N
XLogP5.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
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oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
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pyridin-2-ylmethanol;vanadium
CID 176962038

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine?
The IUPAC name of 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine (CID 45380038) is 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine.
What is the SMILES notation for 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine?
The canonical SMILES for 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine is c1ccc(CC(=C2CCCCC2)C2CCCCC2)nc1.
What is the InChIKey of 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine?
The InChIKey is MSUZIAGJXNHZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h7-8,13-14,16H,1-6,9-12,15H2.
What are the key properties of 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine?
2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine has a molecular weight of 269.43 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-cyclohexylideneethyl)pyridine is sourced from PubChem (CID 45380038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).