2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium

C20H26N+ — CID 167365538

IUPAC2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
SMILESCc1cc(-c2cc(C3CCCC3)ccc2C)[n+](C)cc1C
InChIInChI=1S/C20H26N/c1-14-9-10-18(17-7-5-6-8-17)12-19(14)20-11-15(2)16(3)13-21(20)4/h9-13,17H,5-8H2,1-4H3/q+1
InChIKeyRIBMSXADIXQPTO-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.76
Rot. Bonds2

About 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium

2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium (PubChem CID 167365538) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
PubChem CID167365538
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
SMILESCc1cc(-c2cc(C3CCCC3)ccc2C)[n+](C)cc1C
InChIInChI=1S/C20H26N/c1-14-9-10-18(17-7-5-6-8-17)12-19(14)20-11-15(2)16(3)13-21(20)4/h9-13,17H,5-8H2,1-4H3/q+1
InChIKeyRIBMSXADIXQPTO-UHFFFAOYSA-N
XLogP4.76
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365158
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
5-(1-deuteriocyclohexyl)-2-[5-(1-deuteriocyclohexyl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 167365566
5-(6-cyclohexylnaphthalen-2-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829940
4-(6-cyclohexylnaphthalen-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140829936
4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
CID 161280158
[2-(5-tert-butyl-2-methylphenyl)-5-cyclopentyl-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 160731296
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
CID 140920909
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 156621814
4-[6-(4-cyclohexylphenyl)naphthalen-2-yl]-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830081

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium?
The IUPAC name of 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium (CID 167365538) is 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium.
What is the SMILES notation for 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium?
The canonical SMILES for 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium is Cc1cc(-c2cc(C3CCCC3)ccc2C)[n+](C)cc1C.
What is the InChIKey of 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium?
The InChIKey is RIBMSXADIXQPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-14-9-10-18(17-7-5-6-8-17)12-19(14)20-11-15(2)16(3)13-21(20)4/h9-13,17H,5-8H2,1-4H3/q+1.
What are the key properties of 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium?
2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium has a molecular weight of 280.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium is sourced from PubChem (CID 167365538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).