2-cyclohexyl-2-phenyl-3H-pyridine

C17H21N — CID 174894049

IUPAC2-cyclohexyl-2-phenyl-3H-pyridine
SMILESC1=CCC(c2ccccc2)(C2CCCCC2)N=C1
InChIInChI=1S/C17H21N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h1,3-4,7-10,14,16H,2,5-6,11-13H2
InChIKeyDEEMDVVEOXGHQA-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.49
Rot. Bonds2

About 2-cyclohexyl-2-phenyl-3H-pyridine

2-cyclohexyl-2-phenyl-3H-pyridine (PubChem CID 174894049) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenyl-3H-pyridine.

Molecular Properties

Compound Name2-cyclohexyl-2-phenyl-3H-pyridine
PubChem CID174894049
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-cyclohexyl-2-phenyl-3H-pyridine
SMILESC1=CCC(c2ccccc2)(C2CCCCC2)N=C1
InChIInChI=1S/C17H21N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h1,3-4,7-10,14,16H,2,5-6,11-13H2
InChIKeyDEEMDVVEOXGHQA-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclohexyl-2-phenylthiolane 1,1-dioxide
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cyclopentyl-(2-methyl-3H-pyridin-2-yl)phosphane
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenyl-3H-pyridine?
The IUPAC name of 2-cyclohexyl-2-phenyl-3H-pyridine (CID 174894049) is 2-cyclohexyl-2-phenyl-3H-pyridine.
What is the SMILES notation for 2-cyclohexyl-2-phenyl-3H-pyridine?
The canonical SMILES for 2-cyclohexyl-2-phenyl-3H-pyridine is C1=CCC(c2ccccc2)(C2CCCCC2)N=C1.
What is the InChIKey of 2-cyclohexyl-2-phenyl-3H-pyridine?
The InChIKey is DEEMDVVEOXGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-9-15(10-4-1)17(13-7-8-14-18-17)16-11-5-2-6-12-16/h1,3-4,7-10,14,16H,2,5-6,11-13H2.
What are the key properties of 2-cyclohexyl-2-phenyl-3H-pyridine?
2-cyclohexyl-2-phenyl-3H-pyridine has a molecular weight of 239.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenyl-3H-pyridine is sourced from PubChem (CID 174894049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).