4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine

C34H53N — CID 19859771

IUPAC4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine
SMILESCCCCCCCCC1CCC(C(C)c2cnccc2-c2ccccc2CCCCCCC)CC1
InChIInChI=1S/C34H53N/c1-4-6-8-10-12-13-17-29-21-23-30(24-22-29)28(3)34-27-35-26-25-33(34)32-20-16-15-19-31(32)18-14-11-9-7-5-2/h15-16,19-20,25-30H,4-14,17-18,21-24H2,1-3H3
InChIKeyIPUXVFQNZLFPRG-UHFFFAOYSA-N
MW475.81 g/mol
LogP10.92
Rot. Bonds16

About 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine

4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine (PubChem CID 19859771) has the molecular formula C34H53N and a molecular weight of 475.81 g/mol. Its IUPAC name is 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine
PubChem CID19859771
Molecular FormulaC34H53N
Molecular Weight475.81 g/mol
Exact Mass475.42
IUPAC Name4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine
SMILESCCCCCCCCC1CCC(C(C)c2cnccc2-c2ccccc2CCCCCCC)CC1
InChIInChI=1S/C34H53N/c1-4-6-8-10-12-13-17-29-21-23-30(24-22-29)28(3)34-27-35-26-25-33(34)32-20-16-15-19-31(32)18-14-11-9-7-5-2/h15-16,19-20,25-30H,4-14,17-18,21-24H2,1-3H3
InChIKeyIPUXVFQNZLFPRG-UHFFFAOYSA-N
XLogP10.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 510.92
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

4-(2-ethoxyphenyl)-3-[1-(4-pentylcyclohexyl)ethyl]pyridine
CID 19859693
3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859532
5-[2-(4-pentylcyclohexyl)ethyl]-4-(2-pentylphenyl)pyrimidine
CID 19839888
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178
4-(2-ethylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 19839774
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
1-[2-(4-butylcyclohexyl)ethyl]-2-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 142630350
3-pentyl-4-propan-2-yloxypyridine
CID 54537415

Frequently Asked Questions

What is the IUPAC name of 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine?
The IUPAC name of 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine (CID 19859771) is 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine is CCCCCCCCC1CCC(C(C)c2cnccc2-c2ccccc2CCCCCCC)CC1.
What is the InChIKey of 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine?
The InChIKey is IPUXVFQNZLFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N/c1-4-6-8-10-12-13-17-29-21-23-30(24-22-29)28(3)34-27-35-26-25-33(34)32-20-16-15-19-31(32)18-14-11-9-7-5-2/h15-16,19-20,25-30H,4-14,17-18,21-24H2,1-3H3.
What are the key properties of 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine?
4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine has a molecular weight of 475.81 g/mol, XLogP of 10.92, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-heptylphenyl)-3-[1-(4-octylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 19859771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).