2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine

C23H31N — CID 19859506

IUPAC2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C23H31N/c1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24-23)20-11-7-18(4-2)8-12-20/h7-8,11-12,15-17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeyANGDLUQTFQNIKX-UHFFFAOYSA-N
MW321.51 g/mol
LogP6.78
Rot. Bonds6

About 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine

2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine (PubChem CID 19859506) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
PubChem CID19859506
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine
SMILESCCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1
InChIInChI=1S/C23H31N/c1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24-23)20-11-7-18(4-2)8-12-20/h7-8,11-12,15-17,19,21H,3-6,9-10,13-14H2,1-2H3
InChIKeyANGDLUQTFQNIKX-UHFFFAOYSA-N
XLogP6.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-ethylphenyl)-2-(4-heptylcyclohexyl)pyridine
CID 19859212
5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
CID 19858862
2-(4-octylcyclohexyl)-5-(4-pentoxyphenyl)pyridine
CID 19859736
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585
5-heptoxy-2-[6-(4-pentylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139603840
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
6-[4-(4-butylcyclohexyl)cyclohexyl]pyridine-3-carbonitrile
CID 139631047
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine?
The IUPAC name of 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine (CID 19859506) is 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine.
What is the SMILES notation for 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine?
The canonical SMILES for 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine is CCCCC1CCC(c2ccc(-c3ccc(CC)cc3)cn2)CC1.
What is the InChIKey of 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine?
The InChIKey is ANGDLUQTFQNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-3-5-6-19-9-13-21(14-10-19)23-16-15-22(17-24-23)20-11-7-18(4-2)8-12-20/h7-8,11-12,15-17,19,21H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine?
2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine has a molecular weight of 321.51 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-5-(4-ethylphenyl)pyridine is sourced from PubChem (CID 19859506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).