5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine

C33H51N — CID 154424950

IUPAC5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C33H51N/c1-3-5-7-8-10-16-31-23-26-33(34-27-31)32-24-21-30(22-25-32)15-12-11-14-29-19-17-28(18-20-29)13-9-6-4-2/h21-29H,3-20H2,1-2H3
InChIKeyNDICELCISRDUAX-UHFFFAOYSA-N
MW461.78 g/mol
LogP10.36
Rot. Bonds16

About 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine

5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (PubChem CID 154424950) has the molecular formula C33H51N and a molecular weight of 461.78 g/mol. Its IUPAC name is 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
PubChem CID154424950
Molecular FormulaC33H51N
Molecular Weight461.78 g/mol
Exact Mass461.40
IUPAC Name5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1
InChIInChI=1S/C33H51N/c1-3-5-7-8-10-16-31-23-26-33(34-27-31)32-24-21-30(22-25-32)15-12-11-14-29-19-17-28(18-20-29)13-9-6-4-2/h21-29H,3-20H2,1-2H3
InChIKeyNDICELCISRDUAX-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

5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-hexyl-2-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]phenyl]pyridine
CID 67786870
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The IUPAC name of 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine (CID 154424950) is 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The canonical SMILES for 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(CCCCC3CCC(CCCCC)CC3)cc2)nc1.
What is the InChIKey of 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
The InChIKey is NDICELCISRDUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N/c1-3-5-7-8-10-16-31-23-26-33(34-27-31)32-24-21-30(22-25-32)15-12-11-14-29-19-17-28(18-20-29)13-9-6-4-2/h21-29H,3-20H2,1-2H3.
What are the key properties of 5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine?
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]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-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine is sourced from PubChem (CID 154424950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).