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

C29H43N — CID 57273291

IUPAC5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCC1CCCC(CCc2ccc(-c3ccc(CCCC)cn3)cc2)C1
InChIInChI=1S/C29H43N/c1-3-5-7-8-11-25-12-9-13-26(22-25)15-14-24-16-19-28(20-17-24)29-21-18-27(23-30-29)10-6-4-2/h16-21,23,25-26H,3-15,22H2,1-2H3
InChIKeyMTXMMGYKIJBAQR-UHFFFAOYSA-N
MW405.67 g/mol
LogP8.80
Rot. Bonds12

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

5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57273291) has the molecular formula C29H43N and a molecular weight of 405.67 g/mol. Its IUPAC name is 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57273291
Molecular FormulaC29H43N
Molecular Weight405.67 g/mol
Exact Mass405.34
IUPAC Name5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCC1CCCC(CCc2ccc(-c3ccc(CCCC)cn3)cc2)C1
InChIInChI=1S/C29H43N/c1-3-5-7-8-11-25-12-9-13-26(22-25)15-14-24-16-19-28(20-17-24)29-21-18-27(23-30-29)10-6-4-2/h16-21,23,25-26H,3-15,22H2,1-2H3
InChIKeyMTXMMGYKIJBAQR-UHFFFAOYSA-N
XLogP8.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 58.80
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-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
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-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine (CID 57273291) is 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCC1CCCC(CCc2ccc(-c3ccc(CCCC)cn3)cc2)C1.
What is the InChIKey of 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is MTXMMGYKIJBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N/c1-3-5-7-8-11-25-12-9-13-26(22-25)15-14-24-16-19-28(20-17-24)29-21-18-27(23-30-29)10-6-4-2/h16-21,23,25-26H,3-15,22H2,1-2H3.
What are the key properties of 5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine?
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 405.67 g/mol, XLogP of 8.80, 12 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-hexylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57273291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).