1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium

C18H24N+ — CID 164777910

IUPAC1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILESCCC(C)(C)c1cc[n+](C)c(-c2ccccc2C)c1
InChIInChI=1S/C18H24N/c1-6-18(3,4)15-11-12-19(5)17(13-15)16-10-8-7-9-14(16)2/h7-13H,6H2,1-5H3/q+1
InChIKeyKTCSLXKGIFJTII-UHFFFAOYSA-N
MW254.40 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium

1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 164777910) has the molecular formula C18H24N+ and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
PubChem CID164777910
Molecular FormulaC18H24N+
Molecular Weight254.40 g/mol
Exact Mass254.19
IUPAC Name1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILESCCC(C)(C)c1cc[n+](C)c(-c2ccccc2C)c1
InChIInChI=1S/C18H24N/c1-6-18(3,4)15-11-12-19(5)17(13-15)16-10-8-7-9-14(16)2/h7-13H,6H2,1-5H3/q+1
InChIKeyKTCSLXKGIFJTII-UHFFFAOYSA-N
XLogP4.17
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 54.17
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

4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314
5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 176583827
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
2-(5-benzo[b][1]benzoborol-5-yl-2-methylphenyl)-4-tert-butyl-1-methylpyridin-1-ium
CID 170537769
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108
1-methyl-2-[2-methyl-4-(2-methylbutan-2-yl)phenyl]-5-(3-methylpentan-3-yl)pyridin-1-ium
CID 167358015
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-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
9-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-4-methylphenyl]-1,8-diphenylcarbazole
CID 167400602
4-tert-butyl-2-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylpyridin-1-ium;chloromethane;2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 157248189
2-deuterio-4-(3-ethylpentan-3-yl)-1-methyl-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 164777913
4-[3,5-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123488433

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium (CID 164777910) is 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium is CCC(C)(C)c1cc[n+](C)c(-c2ccccc2C)c1.
What is the InChIKey of 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is KTCSLXKGIFJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N/c1-6-18(3,4)15-11-12-19(5)17(13-15)16-10-8-7-9-14(16)2/h7-13H,6H2,1-5H3/q+1.
What are the key properties of 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium?
1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 254.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 164777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).