5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine

C29H43N — CID 18609134

IUPAC5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCCC1CCC(CCc2ccc(-c3ccc(CC)cn3)cc2)CC1
InChIInChI=1S/C29H43N/c1-3-5-6-7-8-9-10-25-11-13-26(14-12-25)15-16-27-17-20-28(21-18-27)29-22-19-24(4-2)23-30-29/h17-23,25-26H,3-16H2,1-2H3
InChIKeyHEBZKBMHBNMEGT-UHFFFAOYSA-N
MW405.67 g/mol
LogP8.80
Rot. Bonds12

About 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine

5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 18609134) has the molecular formula C29H43N and a molecular weight of 405.67 g/mol. Its IUPAC name is 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID18609134
Molecular FormulaC29H43N
Molecular Weight405.67 g/mol
Exact Mass405.34
IUPAC Name5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCCC1CCC(CCc2ccc(-c3ccc(CC)cn3)cc2)CC1
InChIInChI=1S/C29H43N/c1-3-5-6-7-8-9-10-25-11-13-26(14-12-25)15-16-27-17-20-28(21-18-27)29-22-19-24(4-2)23-30-29/h17-23,25-26H,3-16H2,1-2H3
InChIKeyHEBZKBMHBNMEGT-UHFFFAOYSA-N
XLogP8.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
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
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine (CID 18609134) is 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCCCC1CCC(CCc2ccc(-c3ccc(CC)cn3)cc2)CC1.
What is the InChIKey of 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is HEBZKBMHBNMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N/c1-3-5-6-7-8-9-10-25-11-13-26(14-12-25)15-16-27-17-20-28(21-18-27)29-22-19-24(4-2)23-30-29/h17-23,25-26H,3-16H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine?
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 405.67 g/mol, XLogP of 8.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 18609134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).