2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine

C30H45N — CID 57020973

IUPAC2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cn2)cc1
InChIInChI=1S/C30H45N/c1-3-5-7-9-11-25-17-20-29(21-18-25)30-22-19-28(24-31-30)16-15-27-14-10-13-26(23-27)12-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3
InChIKeyWARGRCZNQLQKGH-UHFFFAOYSA-N
MW419.70 g/mol
LogP9.19
Rot. Bonds13

About 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine

2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine (PubChem CID 57020973) has the molecular formula C30H45N and a molecular weight of 419.70 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
PubChem CID57020973
Molecular FormulaC30H45N
Molecular Weight419.70 g/mol
Exact Mass419.36
IUPAC Name2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cn2)cc1
InChIInChI=1S/C30H45N/c1-3-5-7-9-11-25-17-20-29(21-18-25)30-22-19-28(24-31-30)16-15-27-14-10-13-26(23-27)12-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3
InChIKeyWARGRCZNQLQKGH-UHFFFAOYSA-N
XLogP9.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.70
LogP ≤ 59.19
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-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine?
The IUPAC name of 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine (CID 57020973) is 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine is CCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cn2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine?
The InChIKey is WARGRCZNQLQKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N/c1-3-5-7-9-11-25-17-20-29(21-18-25)30-22-19-28(24-31-30)16-15-27-14-10-13-26(23-27)12-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3.
What are the key properties of 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine?
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine has a molecular weight of 419.70 g/mol, XLogP of 9.19, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 57020973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).