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

C25H35N — CID 57174995

IUPAC5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1
InChIInChI=1S/C25H35N/c1-3-5-7-23-14-17-25(26-19-23)24-15-12-21(13-16-24)10-11-22-9-6-8-20(4-2)18-22/h12-17,19-20,22H,3-11,18H2,1-2H3
InChIKeyAOOICIBIUJSPFD-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.24
Rot. Bonds8

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

5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57174995) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57174995
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1
InChIInChI=1S/C25H35N/c1-3-5-7-23-14-17-25(26-19-23)24-15-12-21(13-16-24)10-11-22-9-6-8-20(4-2)18-22/h12-17,19-20,22H,3-11,18H2,1-2H3
InChIKeyAOOICIBIUJSPFD-UHFFFAOYSA-N
XLogP7.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
CID 57116786
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine (CID 57174995) is 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine is CCCCc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1.
What is the InChIKey of 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is AOOICIBIUJSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-3-5-7-23-14-17-25(26-19-23)24-15-12-21(13-16-24)10-11-22-9-6-8-20(4-2)18-22/h12-17,19-20,22H,3-11,18H2,1-2H3.
What are the key properties of 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine?
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 349.56 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57174995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).