4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C17H22N+ — CID 59773314

IUPAC4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1cc(C(C)(C)C)cc[n+]1C
InChIInChI=1S/C17H22N/c1-13-8-6-7-9-15(13)16-12-14(17(2,3)4)10-11-18(16)5/h6-12H,1-5H3/q+1
InChIKeyIUUPOHBPNVYEIK-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.78
Rot. Bonds1

About 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium

4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 59773314) has the molecular formula C17H22N+ and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID59773314
Molecular FormulaC17H22N+
Molecular Weight240.37 g/mol
Exact Mass240.17
IUPAC Name4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1cc(C(C)(C)C)cc[n+]1C
InChIInChI=1S/C17H22N/c1-13-8-6-7-9-15(13)16-12-14(17(2,3)4)10-11-18(16)5/h6-12H,1-5H3/q+1
InChIKeyIUUPOHBPNVYEIK-UHFFFAOYSA-N
XLogP3.78
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-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

1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164777910
2-(5-benzo[b][1]benzoborol-5-yl-2-methylphenyl)-4-tert-butyl-1-methylpyridin-1-ium
CID 170537769
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
5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 176583827
9-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-4-methylphenyl]-1,8-diphenylcarbazole
CID 167400602
[2-(4-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium-4-yl]-trimethylgermane
CID 158154791
2-(4-tert-butyl-2-methylphenyl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 159726150
1-methyl-2-(2-methylphenyl)-4-pyridin-4-ylpyridin-1-ium
CID 58421065
6-tert-butyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404904
4-tert-butyl-2-[5-(3,5-ditert-butylphenyl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 172534755
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
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 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 59773314) is 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium is Cc1ccccc1-c1cc(C(C)(C)C)cc[n+]1C.
What is the InChIKey of 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is IUUPOHBPNVYEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N/c1-13-8-6-7-9-15(13)16-12-14(17(2,3)4)10-11-18(16)5/h6-12H,1-5H3/q+1.
What are the key properties of 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 240.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 59773314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).