5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium

C25H34N+ — CID 167358000

IUPAC5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
SMILESCc1cc(C2(C)CCCC2)ccc1-c1ccc(C2CCCCC2)c[n+]1C
InChIInChI=1S/C25H34N/c1-19-17-22(25(2)15-7-8-16-25)12-13-23(19)24-14-11-21(18-26(24)3)20-9-5-4-6-10-20/h11-14,17-18,20H,4-10,15-16H2,1-3H3/q+1
InChIKeyQIJGIEHVFGTEAB-UHFFFAOYSA-N
MW348.55 g/mol
LogP6.37
Rot. Bonds3

About 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium

5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium (PubChem CID 167358000) has the molecular formula C25H34N+ and a molecular weight of 348.55 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
PubChem CID167358000
Molecular FormulaC25H34N+
Molecular Weight348.55 g/mol
Exact Mass348.27
IUPAC Name5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
SMILESCc1cc(C2(C)CCCC2)ccc1-c1ccc(C2CCCCC2)c[n+]1C
InChIInChI=1S/C25H34N/c1-19-17-22(25(2)15-7-8-16-25)12-13-23(19)24-14-11-21(18-26(24)3)20-9-5-4-6-10-20/h11-14,17-18,20H,4-10,15-16H2,1-3H3/q+1
InChIKeyQIJGIEHVFGTEAB-UHFFFAOYSA-N
XLogP6.37
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.55
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357792
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1,4,4-trimethylcyclohexyl)phenyl]pyridin-1-ium
CID 167358019
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 156621814
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
4,5-ditert-butyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357700
5-tert-butyl-1-methyl-2-[2-methyl-4-(1-methylcyclohexyl)phenyl]-4-propan-2-ylpyridin-1-ium
CID 167357505
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuteriocyclopentyl)-1-methylpyridin-1-ium
CID 167358193
2-[4-(2-cyclopentylpropan-2-yl)-2-methylphenyl]-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
CID 167357626
2-(4-tert-butyl-2-methylphenyl)-5-(1,1-dimethylsilinan-4-yl)-1-methylpyridin-1-ium
CID 167357945
2-(4-tert-butyl-2-methylphenyl)-5-(1-deuterio-4,4-dimethylcyclohexyl)-1-methylpyridin-1-ium
CID 167357472
5-(1-deuteriocyclohexyl)-2-[5-(1-deuteriocyclohexyl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 167365566

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium?
The IUPAC name of 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium (CID 167358000) is 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium?
The canonical SMILES for 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium is Cc1cc(C2(C)CCCC2)ccc1-c1ccc(C2CCCCC2)c[n+]1C.
What is the InChIKey of 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium?
The InChIKey is QIJGIEHVFGTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N/c1-19-17-22(25(2)15-7-8-16-25)12-13-23(19)24-14-11-21(18-26(24)3)20-9-5-4-6-10-20/h11-14,17-18,20H,4-10,15-16H2,1-3H3/q+1.
What are the key properties of 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium?
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium has a molecular weight of 348.55 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 167358000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).