5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine

C26H37NO — CID 57116786

IUPAC5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
SMILESCCCCC1CCCC(CCc2ccc(-c3ccc(OCCC)cc3)nc2)C1
InChIInChI=1S/C26H37NO/c1-3-5-7-21-8-6-9-22(19-21)10-11-23-12-17-26(27-20-23)24-13-15-25(16-14-24)28-18-4-2/h12-17,20-22H,3-11,18-19H2,1-2H3
InChIKeyQVRDUAULWKXGRE-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.47
Rot. Bonds10

About 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine

5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine (PubChem CID 57116786) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine.

Molecular Properties

Compound Name5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
PubChem CID57116786
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
SMILESCCCCC1CCCC(CCc2ccc(-c3ccc(OCCC)cc3)nc2)C1
InChIInChI=1S/C26H37NO/c1-3-5-7-21-8-6-9-22(19-21)10-11-23-12-17-26(27-20-23)24-13-15-25(16-14-24)28-18-4-2/h12-17,20-22H,3-11,18-19H2,1-2H3
InChIKeyQVRDUAULWKXGRE-UHFFFAOYSA-N
XLogP7.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
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-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine?
The IUPAC name of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine (CID 57116786) is 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine.
What is the SMILES notation for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine?
The canonical SMILES for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine is CCCCC1CCCC(CCc2ccc(-c3ccc(OCCC)cc3)nc2)C1.
What is the InChIKey of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine?
The InChIKey is QVRDUAULWKXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-3-5-7-21-8-6-9-22(19-21)10-11-23-12-17-26(27-20-23)24-13-15-25(16-14-24)28-18-4-2/h12-17,20-22H,3-11,18-19H2,1-2H3.
What are the key properties of 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine?
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine has a molecular weight of 379.59 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine is sourced from PubChem (CID 57116786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).