5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine

C28H41NO — CID 57192767

IUPAC5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1
InChIInChI=1S/C28H41NO/c1-3-5-7-20-30-27-17-15-26(16-18-27)28-19-14-25(22-29-28)13-12-24-11-8-10-23(21-24)9-6-4-2/h14-19,22-24H,3-13,20-21H2,1-2H3
InChIKeyNGKUXXNRWYKMBF-UHFFFAOYSA-N
MW407.64 g/mol
LogP8.25
Rot. Bonds12

About 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine

5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine (PubChem CID 57192767) has the molecular formula C28H41NO and a molecular weight of 407.64 g/mol. Its IUPAC name is 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine.

Molecular Properties

Compound Name5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
PubChem CID57192767
Molecular FormulaC28H41NO
Molecular Weight407.64 g/mol
Exact Mass407.32
IUPAC Name5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1
InChIInChI=1S/C28H41NO/c1-3-5-7-20-30-27-17-15-26(16-18-27)28-19-14-25(22-29-28)13-12-24-11-8-10-23(21-24)9-6-4-2/h14-19,22-24H,3-13,20-21H2,1-2H3
InChIKeyNGKUXXNRWYKMBF-UHFFFAOYSA-N
XLogP8.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 58.25
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

2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
CID 57116786
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The IUPAC name of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine (CID 57192767) is 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine.
What is the SMILES notation for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The canonical SMILES for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine is CCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1.
What is the InChIKey of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The InChIKey is NGKUXXNRWYKMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO/c1-3-5-7-20-30-27-17-15-26(16-18-27)28-19-14-25(22-29-28)13-12-24-11-8-10-23(21-24)9-6-4-2/h14-19,22-24H,3-13,20-21H2,1-2H3.
What are the key properties of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine has a molecular weight of 407.64 g/mol, XLogP of 8.25, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine is sourced from PubChem (CID 57192767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).