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

C30H45NO — CID 19738774

IUPAC5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCCC1CCC(CCCOc2ccc(-c3ccc(CC(C)CC)cn3)cc2)CC1
InChIInChI=1S/C30H45NO/c1-4-6-7-9-25-11-13-26(14-12-25)10-8-21-32-29-18-16-28(17-19-29)30-20-15-27(23-31-30)22-24(3)5-2/h15-20,23-26H,4-14,21-22H2,1-3H3
InChIKeyBNGACLSSHZJDOT-UHFFFAOYSA-N
MW435.70 g/mol
LogP8.88
Rot. Bonds13

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

5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine (PubChem CID 19738774) has the molecular formula C30H45NO and a molecular weight of 435.70 g/mol. Its IUPAC name is 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine.

Molecular Properties

Compound Name5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine
PubChem CID19738774
Molecular FormulaC30H45NO
Molecular Weight435.70 g/mol
Exact Mass435.35
IUPAC Name5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCCC1CCC(CCCOc2ccc(-c3ccc(CC(C)CC)cn3)cc2)CC1
InChIInChI=1S/C30H45NO/c1-4-6-7-9-25-11-13-26(14-12-25)10-8-21-32-29-18-16-28(17-19-29)30-20-15-27(23-31-30)22-24(3)5-2/h15-20,23-26H,4-14,21-22H2,1-3H3
InChIKeyBNGACLSSHZJDOT-UHFFFAOYSA-N
XLogP8.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.70
LogP ≤ 58.88
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-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-[(4S)-4-methylhexyl]-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 54137469
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
CID 57192381
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine?
The IUPAC name of 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine (CID 19738774) is 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine.
What is the SMILES notation for 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine?
The canonical SMILES for 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine is CCCCCC1CCC(CCCOc2ccc(-c3ccc(CC(C)CC)cn3)cc2)CC1.
What is the InChIKey of 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine?
The InChIKey is BNGACLSSHZJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45NO/c1-4-6-7-9-25-11-13-26(14-12-25)10-8-21-32-29-18-16-28(17-19-29)30-20-15-27(23-31-30)22-24(3)5-2/h15-20,23-26H,4-14,21-22H2,1-3H3.
What are the key properties of 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine?
5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine has a molecular weight of 435.70 g/mol, XLogP of 8.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyridine is sourced from PubChem (CID 19738774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).