2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium

C20H26N+ — CID 167365761

IUPAC2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
SMILESCc1cc(C)c(C2CCCCC2)cc1-c1cccc[n+]1C
InChIInChI=1S/C20H26N/c1-15-13-16(2)19(20-11-7-8-12-21(20)3)14-18(15)17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3/q+1
InChIKeyWADUZCOWWITVIT-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.84
Rot. Bonds2

About 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium

2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium (PubChem CID 167365761) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
PubChem CID167365761
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
SMILESCc1cc(C)c(C2CCCCC2)cc1-c1cccc[n+]1C
InChIInChI=1S/C20H26N/c1-15-13-16(2)19(20-11-7-8-12-21(20)3)14-18(15)17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3/q+1
InChIKeyWADUZCOWWITVIT-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
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

3-cyclohexyl-8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile
CID 154615185
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
4-cyclohexyl-7-methyl-8-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 170252771
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
5-cyclohexyl-2-(2,4-dimethyl-9H-fluoren-1-yl)-1,4-dimethylpyridin-1-ium
CID 158316417
2-[6-(4-cyclohexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357386
3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881300
4-cyclohexyl-2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-1-carbonitrile
CID 154616240
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889717
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium (CID 167365761) is 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium is Cc1cc(C)c(C2CCCCC2)cc1-c1cccc[n+]1C.
What is the InChIKey of 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium?
The InChIKey is WADUZCOWWITVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-15-13-16(2)19(20-11-7-8-12-21(20)3)14-18(15)17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3/q+1.
What are the key properties of 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium?
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium has a molecular weight of 280.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 167365761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).