1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium

C16H32N4+2 — CID 162287352

IUPAC1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium
SMILESCN1C=CN(C)C1.C[N+](C)(C)C.Cc1cc[n+](C)cc1
InChIInChI=1S/C7H10N.C5H10N2.C4H12N/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5(2,3)4/h3-6H,1-2H3;3-4H,5H2,1-2H3;1-4H3/q+1;;+1
InChIKeyABWSPGIZCCDFHN-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.43
Rot. Bonds

About 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium

1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium (PubChem CID 162287352) has the molecular formula C16H32N4+2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium
PubChem CID162287352
Molecular FormulaC16H32N4+2
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium
SMILESCN1C=CN(C)C1.C[N+](C)(C)C.Cc1cc[n+](C)cc1
InChIInChI=1S/C7H10N.C5H10N2.C4H12N/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5(2,3)4/h3-6H,1-2H3;3-4H,5H2,1-2H3;1-4H3/q+1;;+1
InChIKeyABWSPGIZCCDFHN-UHFFFAOYSA-N
XLogP1.43
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium?
The IUPAC name of 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium (CID 162287352) is 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium?
The canonical SMILES for 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium is CN1C=CN(C)C1.C[N+](C)(C)C.Cc1cc[n+](C)cc1.
What is the InChIKey of 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium?
The InChIKey is ABWSPGIZCCDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C5H10N2.C4H12N/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5(2,3)4/h3-6H,1-2H3;3-4H,5H2,1-2H3;1-4H3/q+1;;+1.
What are the key properties of 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium?
1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium has a molecular weight of 280.46 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole;1,4-dimethylpyridin-1-ium;tetramethylazanium is sourced from PubChem (CID 162287352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).