5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine

C31H47NO — CID 57010066

IUPAC5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cc2)nc1
InChIInChI=1S/C31H47NO/c1-3-5-7-8-10-23-33-30-21-22-31(32-25-30)29-19-17-26(18-20-29)15-16-28-14-11-13-27(24-28)12-9-6-4-2/h17-22,25,27-28H,3-16,23-24H2,1-2H3
InChIKeyKQZKFIMLNZHQTG-UHFFFAOYSA-N
MW449.72 g/mol
LogP9.42
Rot. Bonds15

About 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine

5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57010066) has the molecular formula C31H47NO and a molecular weight of 449.72 g/mol. Its IUPAC name is 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57010066
Molecular FormulaC31H47NO
Molecular Weight449.72 g/mol
Exact Mass449.37
IUPAC Name5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cc2)nc1
InChIInChI=1S/C31H47NO/c1-3-5-7-8-10-23-33-30-21-22-31(32-25-30)29-19-17-26(18-20-29)15-16-28-14-11-13-27(24-28)12-9-6-4-2/h17-22,25,27-28H,3-16,23-24H2,1-2H3
InChIKeyKQZKFIMLNZHQTG-UHFFFAOYSA-N
XLogP9.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381

Frequently Asked Questions

What is the IUPAC name of 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine (CID 57010066) is 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCCC)C3)cc2)nc1.
What is the InChIKey of 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is KQZKFIMLNZHQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NO/c1-3-5-7-8-10-23-33-30-21-22-31(32-25-30)29-19-17-26(18-20-29)15-16-28-14-11-13-27(24-28)12-9-6-4-2/h17-22,25,27-28H,3-16,23-24H2,1-2H3.
What are the key properties of 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine?
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 449.72 g/mol, XLogP of 9.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).