5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

C28H41N — CID 57065381

IUPAC5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCC1CCCC(CCc2ccc(-c3ccc(CC)cn3)cc2)C1
InChIInChI=1S/C28H41N/c1-3-5-6-7-8-10-25-11-9-12-26(21-25)14-13-24-15-18-27(19-16-24)28-20-17-23(4-2)22-29-28/h15-20,22,25-26H,3-14,21H2,1-2H3
InChIKeyDQPNYDKPKAJQLX-UHFFFAOYSA-N
MW391.64 g/mol
LogP8.41
Rot. Bonds11

About 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57065381) has the molecular formula C28H41N and a molecular weight of 391.64 g/mol. Its IUPAC name is 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57065381
Molecular FormulaC28H41N
Molecular Weight391.64 g/mol
Exact Mass391.32
IUPAC Name5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCC1CCCC(CCc2ccc(-c3ccc(CC)cn3)cc2)C1
InChIInChI=1S/C28H41N/c1-3-5-6-7-8-10-25-11-9-12-26(21-25)14-13-24-15-18-27(19-16-24)28-20-17-23(4-2)22-29-28/h15-20,22,25-26H,3-14,21H2,1-2H3
InChIKeyDQPNYDKPKAJQLX-UHFFFAOYSA-N
XLogP8.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 58.41
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
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
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-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (CID 57065381) is 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCCC1CCCC(CCc2ccc(-c3ccc(CC)cn3)cc2)C1.
What is the InChIKey of 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is DQPNYDKPKAJQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N/c1-3-5-6-7-8-10-25-11-9-12-26(21-25)14-13-24-15-18-27(19-16-24)28-20-17-23(4-2)22-29-28/h15-20,22,25-26H,3-14,21H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 391.64 g/mol, XLogP of 8.41, 11 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-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57065381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).