5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine

C29H43NO — CID 18609195

IUPAC5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCC(CCCC)CC3)cn2)cc1
InChIInChI=1S/C29H43NO/c1-3-5-7-8-22-31-28-19-17-27(18-20-28)29-21-16-26(23-30-29)15-14-25-12-10-24(11-13-25)9-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3
InChIKeyPGCVHAZPDRDIPE-UHFFFAOYSA-N
MW421.67 g/mol
LogP8.64
Rot. Bonds13

About 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine

5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine (PubChem CID 18609195) has the molecular formula C29H43NO and a molecular weight of 421.67 g/mol. Its IUPAC name is 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine.

Molecular Properties

Compound Name5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
PubChem CID18609195
Molecular FormulaC29H43NO
Molecular Weight421.67 g/mol
Exact Mass421.33
IUPAC Name5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCC(CCCC)CC3)cn2)cc1
InChIInChI=1S/C29H43NO/c1-3-5-7-8-22-31-28-19-17-27(18-20-28)29-21-16-26(23-30-29)15-14-25-12-10-24(11-13-25)9-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3
InChIKeyPGCVHAZPDRDIPE-UHFFFAOYSA-N
XLogP8.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
CID 57116786

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine?
The IUPAC name of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine (CID 18609195) is 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine.
What is the SMILES notation for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine?
The canonical SMILES for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine is CCCCCCOc1ccc(-c2ccc(CCC3CCC(CCCC)CC3)cn2)cc1.
What is the InChIKey of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine?
The InChIKey is PGCVHAZPDRDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO/c1-3-5-7-8-22-31-28-19-17-27(18-20-28)29-21-16-26(23-30-29)15-14-25-12-10-24(11-13-25)9-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3.
What are the key properties of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine?
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine has a molecular weight of 421.67 g/mol, XLogP of 8.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine is sourced from PubChem (CID 18609195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).