2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine

C26H37N — CID 18635627

IUPAC2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)nc2)CC1
InChIInChI=1S/C26H37N/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-16-19-26(27-20-24)25-17-14-21(4-2)15-18-25/h14-20,22-23H,3-13H2,1-2H3
InChIKeyAJMWCQPRHKJAIY-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.63
Rot. Bonds9

About 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine

2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine (PubChem CID 18635627) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
PubChem CID18635627
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)nc2)CC1
InChIInChI=1S/C26H37N/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-16-19-26(27-20-24)25-17-14-21(4-2)15-18-25/h14-20,22-23H,3-13H2,1-2H3
InChIKeyAJMWCQPRHKJAIY-UHFFFAOYSA-N
XLogP7.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine?
The IUPAC name of 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine (CID 18635627) is 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine is CCCCCC1CCC(CCc2ccc(-c3ccc(CC)cc3)nc2)CC1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine?
The InChIKey is AJMWCQPRHKJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-16-19-26(27-20-24)25-17-14-21(4-2)15-18-25/h14-20,22-23H,3-13H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine?
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine has a molecular weight of 363.59 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 18635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).