5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

C33H51N — CID 57153394

IUPAC5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCCCC)C3)cc2)nc1
InChIInChI=1S/C33H51N/c1-3-5-7-9-11-14-29-16-13-17-30(26-29)19-18-28-20-23-32(24-21-28)33-25-22-31(27-34-33)15-12-10-8-6-4-2/h20-25,27,29-30H,3-19,26H2,1-2H3
InChIKeyINFMAOXKQYGFJO-UHFFFAOYSA-N
MW461.78 g/mol
LogP10.36
Rot. Bonds16

About 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57153394) has the molecular formula C33H51N and a molecular weight of 461.78 g/mol. Its IUPAC name is 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57153394
Molecular FormulaC33H51N
Molecular Weight461.78 g/mol
Exact Mass461.40
IUPAC Name5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCCCC)C3)cc2)nc1
InChIInChI=1S/C33H51N/c1-3-5-7-9-11-14-29-16-13-17-30(26-29)19-18-28-20-23-32(24-21-28)33-25-22-31(27-34-33)15-12-10-8-6-4-2/h20-25,27,29-30H,3-19,26H2,1-2H3
InChIKeyINFMAOXKQYGFJO-UHFFFAOYSA-N
XLogP10.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 510.36
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

2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
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
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (CID 57153394) is 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(CCC3CCCC(CCCCCCC)C3)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is INFMAOXKQYGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N/c1-3-5-7-9-11-14-29-16-13-17-30(26-29)19-18-28-20-23-32(24-21-28)33-25-22-31(27-34-33)15-12-10-8-6-4-2/h20-25,27,29-30H,3-19,26H2,1-2H3.
What are the key properties of 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 461.78 g/mol, XLogP of 10.36, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57153394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).