5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium

C26H32N+ — CID 140920748

IUPAC5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium
SMILESCc1cc(-c2cc(-c3ccccc3C)ccc2C)[n+](C)cc1CC(C)(C)C
InChIInChI=1S/C26H32N/c1-18-10-8-9-11-23(18)21-13-12-19(2)24(15-21)25-14-20(3)22(17-27(25)7)16-26(4,5)6/h8-15,17H,16H2,1-7H3/q+1
InChIKeyRLCGAAVTSQJWKB-UHFFFAOYSA-N
MW358.55 g/mol
LogP6.36
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium

5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium (PubChem CID 140920748) has the molecular formula C26H32N+ and a molecular weight of 358.55 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium
PubChem CID140920748
Molecular FormulaC26H32N+
Molecular Weight358.55 g/mol
Exact Mass358.25
IUPAC Name5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium
SMILESCc1cc(-c2cc(-c3ccccc3C)ccc2C)[n+](C)cc1CC(C)(C)C
InChIInChI=1S/C26H32N/c1-18-10-8-9-11-23(18)21-13-12-19(2)24(15-21)25-14-20(3)22(17-27(25)7)16-26(4,5)6/h8-15,17H,16H2,1-7H3/q+1
InChIKeyRLCGAAVTSQJWKB-UHFFFAOYSA-N
XLogP6.36
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 56.36
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-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
5-ethyl-1-methyl-2-(2-methylphenyl)-4-(trideuteriomethyl)pyridin-1-ium
CID 164823798
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-(2-methyl-5-phenylphenyl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140920629
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(4-methylphenyl)-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 163527251
1,4-dimethyl-2-[2-methyl-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 158624944
2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,5-dimethyl-4-propan-2-ylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium;2-[2,4-dimethyl-5-(2-methylphenyl)phenyl]-1,4,5-trimethylpyridin-1-ium
CID 159844843
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
5-(2-deuteriopropan-2-yl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;5-(1,1-dideuterio-2-methylpropyl)-1,4-dimethyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium;2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium
CID 157497880
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164777910
8-[5-(2,2-dimethylpropyl)-1,4-dimethylpyridin-1-ium-2-yl]-2-ethyl-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 140708094

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium (CID 140920748) is 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium is Cc1cc(-c2cc(-c3ccccc3C)ccc2C)[n+](C)cc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium?
The InChIKey is RLCGAAVTSQJWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N/c1-18-10-8-9-11-23(18)21-13-12-19(2)24(15-21)25-14-20(3)22(17-27(25)7)16-26(4,5)6/h8-15,17H,16H2,1-7H3/q+1.
What are the key properties of 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium?
5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium has a molecular weight of 358.55 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,4-dimethyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium is sourced from PubChem (CID 140920748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).