1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium

C15H19N2+ — CID 123227132

IUPAC1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
SMILESCc1ccncc1-c1ccc(C(C)C)c[n+]1C
InChIInChI=1S/C15H19N2/c1-11(2)13-5-6-15(17(4)10-13)14-9-16-8-7-12(14)3/h5-11H,1-4H3/q+1
InChIKeyYVEUIZHCMLGBMM-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.00
Rot. Bonds2

About 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium

1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium (PubChem CID 123227132) has the molecular formula C15H19N2+ and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
PubChem CID123227132
Molecular FormulaC15H19N2+
Molecular Weight227.33 g/mol
Exact Mass227.15
IUPAC Name1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium
SMILESCc1ccncc1-c1ccc(C(C)C)c[n+]1C
InChIInChI=1S/C15H19N2/c1-11(2)13-5-6-15(17(4)10-13)14-9-16-8-7-12(14)3/h5-11H,1-4H3/q+1
InChIKeyYVEUIZHCMLGBMM-UHFFFAOYSA-N
XLogP3.00
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-2-(4-methyl-3-pyridinyl)pyridin-1-ium
CID 123509161
1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium
CID 177074930
2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
4-methyl-3-[4-methyl-3,5-di(propan-2-yl)phenyl]pyridine
CID 129189337
6-(2,4-dimethylpentan-3-yl)-2,3-dimethyl-1-(4-methyl-3-pyridinyl)isoquinolin-2-ium
CID 159165051
5-butan-2-yl-2-(5-tert-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365769
2-methyl-1-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-1-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium;2-methyl-3-(4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium
CID 159117294
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123573310
1-methyl-2-(3-methyl-4-pyridinyl)pyrazin-1-ium
CID 155790399
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methyl-[1]benzofuro[3,2-c]pyridine
CID 159117597
2,4-difluoro-3,7-dimethyl-8-(1-methyl-5-propan-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464295

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium?
The IUPAC name of 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium (CID 123227132) is 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium?
The canonical SMILES for 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium is Cc1ccncc1-c1ccc(C(C)C)c[n+]1C.
What is the InChIKey of 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium?
The InChIKey is YVEUIZHCMLGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2/c1-11(2)13-5-6-15(17(4)10-13)14-9-16-8-7-12(14)3/h5-11H,1-4H3/q+1.
What are the key properties of 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium?
1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium has a molecular weight of 227.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methyl-3-pyridinyl)-5-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 123227132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).