1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium

C19H26N+ — CID 153461108

IUPAC1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILESCCC(C)(CC)c1ccc(-c2ccccc2C)[n+](C)c1
InChIInChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-18(20(5)14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1
InChIKeyYRGFVAFSGLSAQD-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.56
Rot. Bonds4

About 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium

1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 153461108) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
PubChem CID153461108
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
SMILESCCC(C)(CC)c1ccc(-c2ccccc2C)[n+](C)c1
InChIInChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-18(20(5)14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1
InChIKeyYRGFVAFSGLSAQD-UHFFFAOYSA-N
XLogP4.56
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.56
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

1-methyl-2-[2-methyl-4-(2-methylbutan-2-yl)phenyl]-5-(3-methylpentan-3-yl)pyridin-1-ium
CID 167358015
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
1-methyl-5-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164733744
5-deuterio-1-methyl-4-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 176583827
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuterioethyl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium;1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium;1-methyl-5-(3-methylpentan-3-yl)-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 159633910
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
1-methyl-2-(3-methylpentan-3-yl)-6-(2-methylphenyl)-3-(trideuteriomethyl)pyridin-1-ium
CID 164777922
1-methyl-4-(2-methylbutan-2-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 164777910
5-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777883
5-tert-butyl-1-methyl-2-[2-methyl-4-(trideuteriomethyl)-5-[2-(trideuteriomethyl)phenyl]phenyl]pyridin-1-ium
CID 167358052
1,5-dimethyl-2-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]pyridin-1-ium
CID 167365808
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium (CID 153461108) is 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium is CCC(C)(CC)c1ccc(-c2ccccc2C)[n+](C)c1.
What is the InChIKey of 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is YRGFVAFSGLSAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-6-19(4,7-2)16-12-13-18(20(5)14-16)17-11-9-8-10-15(17)3/h8-14H,6-7H2,1-5H3/q+1.
What are the key properties of 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium?
1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 268.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 153461108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).