1-methyl-1-tetradecylimidazol-1-ium

C18H35N2+ — CID 19779981

IUPAC1-methyl-1-tetradecylimidazol-1-ium
SMILESCCCCCCCCCCCCCC[N+]1(C)C=CN=C1
InChIInChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20(2)17-15-19-18-20/h15,17-18H,3-14,16H2,1-2H3/q+1
InChIKeyMLUHEVXWJVYRJO-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.65
Rot. Bonds13

About 1-methyl-1-tetradecylimidazol-1-ium

1-methyl-1-tetradecylimidazol-1-ium (PubChem CID 19779981) has the molecular formula C18H35N2+ and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-methyl-1-tetradecylimidazol-1-ium.

Molecular Properties

Compound Name1-methyl-1-tetradecylimidazol-1-ium
PubChem CID19779981
Molecular FormulaC18H35N2+
Molecular Weight279.49 g/mol
Exact Mass279.28
IUPAC Name1-methyl-1-tetradecylimidazol-1-ium
SMILESCCCCCCCCCCCCCC[N+]1(C)C=CN=C1
InChIInChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20(2)17-15-19-18-20/h15,17-18H,3-14,16H2,1-2H3/q+1
InChIKeyMLUHEVXWJVYRJO-UHFFFAOYSA-N
XLogP5.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-1-methyl-1h-imidazol-1-ium bromide
CID 67392062
1-Dodecyl-1-methyl-imidazolium bromide
CID 129744289
N,N-dioctadecylimidazolium iodide
CID 129844295
1-Hexadecyl-1-methylimidazol-1-ium
CID 9946027
1-decyl-1H-imidazol-1-ium
CID 17841393
1-Ethenyl-1-hexadecylimidazol-1-ium bromide
CID 18347771
1-Dodecyl-1-ethenylimidazol-1-ium bromide
CID 18347773
1,1-Dihexylimidazol-1-ium
CID 19358922
1-Methyl-1-tetradecylimidazol-1-ium chloride
CID 19779980
1-Decyl-1-dodecylimidazol-1-ium bromide
CID 20242955
1-Ethenyl-1-hexadecyl-4,5-dihydroimidazol-1-ium bromide
CID 22365596
1-Ethenyl-3-hexadecyl-4,5-dihydroimidazol-3-ium bromide
CID 22365599

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-tetradecylimidazol-1-ium?
The IUPAC name of 1-methyl-1-tetradecylimidazol-1-ium (CID 19779981) is 1-methyl-1-tetradecylimidazol-1-ium.
What is the SMILES notation for 1-methyl-1-tetradecylimidazol-1-ium?
The canonical SMILES for 1-methyl-1-tetradecylimidazol-1-ium is CCCCCCCCCCCCCC[N+]1(C)C=CN=C1.
What is the InChIKey of 1-methyl-1-tetradecylimidazol-1-ium?
The InChIKey is MLUHEVXWJVYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20(2)17-15-19-18-20/h15,17-18H,3-14,16H2,1-2H3/q+1.
What are the key properties of 1-methyl-1-tetradecylimidazol-1-ium?
1-methyl-1-tetradecylimidazol-1-ium has a molecular weight of 279.49 g/mol, XLogP of 5.65, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-tetradecylimidazol-1-ium is sourced from PubChem (CID 19779981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).