5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine

C30H45NO — CID 18609207

IUPAC5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCC)cc3)nc2)CC1
InChIInChI=1S/C30H45NO/c1-3-5-7-8-10-25-11-13-26(14-12-25)15-16-27-17-22-30(31-24-27)28-18-20-29(21-19-28)32-23-9-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3
InChIKeyJJTNTPYIXMRSFY-UHFFFAOYSA-N
MW435.70 g/mol
LogP9.03
Rot. Bonds14

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

5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine (PubChem CID 18609207) has the molecular formula C30H45NO and a molecular weight of 435.70 g/mol. Its IUPAC name is 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine.

Molecular Properties

Compound Name5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
PubChem CID18609207
Molecular FormulaC30H45NO
Molecular Weight435.70 g/mol
Exact Mass435.35
IUPAC Name5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
SMILESCCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCC)cc3)nc2)CC1
InChIInChI=1S/C30H45NO/c1-3-5-7-8-10-25-11-13-26(14-12-25)15-16-27-17-22-30(31-24-27)28-18-20-29(21-19-28)32-23-9-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3
InChIKeyJJTNTPYIXMRSFY-UHFFFAOYSA-N
XLogP9.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 59.03
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-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
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
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
5-[2-(5-decyl-1,3-dioxan-2-yl)ethyl]-2-(4-heptoxyphenyl)pyridine
CID 19821352
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The IUPAC name of 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine (CID 18609207) is 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine.
What is the SMILES notation for 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The canonical SMILES for 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine is CCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCC)cc3)nc2)CC1.
What is the InChIKey of 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
The InChIKey is JJTNTPYIXMRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO/c1-3-5-7-8-10-25-11-13-26(14-12-25)15-16-27-17-22-30(31-24-27)28-18-20-29(21-19-28)32-23-9-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3.
What are the key properties of 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine?
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine has a molecular weight of 435.70 g/mol, XLogP of 9.03, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine is sourced from PubChem (CID 18609207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).