3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine

C26H37NO — CID 19859532

IUPAC3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1
InChIInChI=1S/C26H37NO/c1-4-6-9-18-28-26-11-8-7-10-24(26)23-16-17-27-19-25(23)20(3)22-14-12-21(5-2)13-15-22/h7-8,10-11,16-17,19-22H,4-6,9,12-15,18H2,1-3H3
InChIKeyCYAISGUVDWATDE-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.64
Rot. Bonds9

About 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine

3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine (PubChem CID 19859532) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
PubChem CID19859532
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1
InChIInChI=1S/C26H37NO/c1-4-6-9-18-28-26-11-8-7-10-24(26)23-16-17-27-19-25(23)20(3)22-14-12-21(5-2)13-15-22/h7-8,10-11,16-17,19-22H,4-6,9,12-15,18H2,1-3H3
InChIKeyCYAISGUVDWATDE-UHFFFAOYSA-N
XLogP7.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine
CID 19859536
3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
CID 19859693
4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine
CID 19859771
4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
CID 19807948
3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
CID 19807967
4-butoxy-3-phenylpyridine
CID 91002416
(4-ethylcyclohexyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065687
4-(2-butoxyphenyl)pyridazine
CID 173145819
1-octadecoxy-2-phenylbenzene
CID 70983974
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-undecoxyphenyl)pyrimidine
CID 19839566

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine?
The IUPAC name of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine (CID 19859532) is 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine.
What is the SMILES notation for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine?
The canonical SMILES for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine is CCCCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1.
What is the InChIKey of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine?
The InChIKey is CYAISGUVDWATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-4-6-9-18-28-26-11-8-7-10-24(26)23-16-17-27-19-25(23)20(3)22-14-12-21(5-2)13-15-22/h7-8,10-11,16-17,19-22H,4-6,9,12-15,18H2,1-3H3.
What are the key properties of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine?
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine has a molecular weight of 379.59 g/mol, XLogP of 7.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine is sourced from PubChem (CID 19859532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).