5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine

C30H45NO — CID 57192381

IUPAC5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)nc1
InChIInChI=1S/C30H45NO/c1-3-5-7-12-25-17-22-30(31-24-25)28-18-20-29(21-19-28)32-23-11-16-27-15-10-9-14-26(27)13-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3
InChIKeyQFSLYLQDECKVBX-UHFFFAOYSA-N
MW435.70 g/mol
LogP9.03
Rot. Bonds14

About 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine

5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine (PubChem CID 57192381) has the molecular formula C30H45NO and a molecular weight of 435.70 g/mol. Its IUPAC name is 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine.

Molecular Properties

Compound Name5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
PubChem CID57192381
Molecular FormulaC30H45NO
Molecular Weight435.70 g/mol
Exact Mass435.35
IUPAC Name5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)nc1
InChIInChI=1S/C30H45NO/c1-3-5-7-12-25-17-22-30(31-24-25)28-18-20-29(21-19-28)32-23-11-16-27-15-10-9-14-26(27)13-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3
InChIKeyQFSLYLQDECKVBX-UHFFFAOYSA-N
XLogP9.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 59.03
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

5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
CID 57067508
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57321967
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-octylpyrimidine
CID 57153307
2-[4-[3-(2-decylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57165509
2-[4-[3-(2-hexylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 57278648
5-decyl-2-[4-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]phenyl]pyrimidine
CID 57176671
5-octyl-2-[4-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]phenyl]pyrimidine
CID 57023746

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine?
The IUPAC name of 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine (CID 57192381) is 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine.
What is the SMILES notation for 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine?
The canonical SMILES for 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine is CCCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)nc1.
What is the InChIKey of 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine?
The InChIKey is QFSLYLQDECKVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO/c1-3-5-7-12-25-17-22-30(31-24-25)28-18-20-29(21-19-28)32-23-11-16-27-15-10-9-14-26(27)13-8-6-4-2/h17-22,24,26-27H,3-16,23H2,1-2H3.
What are the key properties of 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine?
5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine has a molecular weight of 435.70 g/mol, XLogP of 9.03, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine is sourced from PubChem (CID 57192381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).