2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium

C24H36N+ — CID 153461096

IUPAC2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium
SMILESCCC(C)(C)c1cc(-c2ccc(C)cc2C)[n+](C)cc1C(C)(C)CC
InChIInChI=1S/C24H36N/c1-10-23(5,6)20-15-22(19-13-12-17(3)14-18(19)4)25(9)16-21(20)24(7,8)11-2/h12-16H,10-11H2,1-9H3/q+1
InChIKeyIGYVGTLWQLGGPG-UHFFFAOYSA-N
MW338.56 g/mol
LogP6.17
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium

2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium (PubChem CID 153461096) has the molecular formula C24H36N+ and a molecular weight of 338.56 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium
PubChem CID153461096
Molecular FormulaC24H36N+
Molecular Weight338.56 g/mol
Exact Mass338.28
IUPAC Name2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium
SMILESCCC(C)(C)c1cc(-c2ccc(C)cc2C)[n+](C)cc1C(C)(C)CC
InChIInChI=1S/C24H36N/c1-10-23(5,6)20-15-22(19-13-12-17(3)14-18(19)4)25(9)16-21(20)24(7,8)11-2/h12-16H,10-11H2,1-9H3/q+1
InChIKeyIGYVGTLWQLGGPG-UHFFFAOYSA-N
XLogP6.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 56.17
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-tert-butyl-1-methyl-4-(2-methylbutan-2-yl)-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 155760219
bis(1,4-dimethyl-5-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium);1,4-dimethyl-5-(2-methylbutan-2-yl)-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylbutan-2-yl)pyridin-1-ium
CID 158747889
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
2-(4-tert-butyl-2-methylphenyl)-4-(2,4-dimethylphenyl)-1,5-dimethylpyridin-1-ium
CID 167357480
1-methyl-2-[2-methyl-4-(2-methylbutan-2-yl)phenyl]-5-(3-methylpentan-3-yl)pyridin-1-ium
CID 167358015
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
4,5-ditert-butyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium;1,4-dimethyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium;2-(2,4-dimethylphenyl)-1-methyl-5-(3-methylpentan-3-yl)pyridin-1-ium;1-methyl-5-(3-methylpentan-3-yl)-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 158342319
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
1-[6-(2,4-dimethylphenyl)-1-methylpyridin-1-ium-3-yl]-2,2-dimethylpropan-1-one
CID 59546734
4-(1,1-dideuterioethyl)-5-(1,1-dideuterio-2-methylpropyl)-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157469927
[5-tert-butyl-2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 159317018

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium (CID 153461096) is 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium is CCC(C)(C)c1cc(-c2ccc(C)cc2C)[n+](C)cc1C(C)(C)CC.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium?
The InChIKey is IGYVGTLWQLGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N/c1-10-23(5,6)20-15-22(19-13-12-17(3)14-18(19)4)25(9)16-21(20)24(7,8)11-2/h12-16H,10-11H2,1-9H3/q+1.
What are the key properties of 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium?
2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium has a molecular weight of 338.56 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-methyl-4,5-bis(2-methylbutan-2-yl)pyridin-1-ium is sourced from PubChem (CID 153461096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).