4-ethyl-1,3,5-trimethylimidazol-3-ium

C8H15N2+ — CID 22979277

IUPAC4-ethyl-1,3,5-trimethylimidazol-3-ium
SMILESCCc1c(C)n(C)c[n+]1C
InChIInChI=1S/C8H15N2/c1-5-8-7(2)9(3)6-10(8)4/h6H,5H2,1-4H3/q+1
InChIKeyLHOQNNJSZIOPNN-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.72
Rot. Bonds1

About 4-ethyl-1,3,5-trimethylimidazol-3-ium

4-ethyl-1,3,5-trimethylimidazol-3-ium (PubChem CID 22979277) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-ethyl-1,3,5-trimethylimidazol-3-ium.

Molecular Properties

Compound Name4-ethyl-1,3,5-trimethylimidazol-3-ium
PubChem CID22979277
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name4-ethyl-1,3,5-trimethylimidazol-3-ium
SMILESCCc1c(C)n(C)c[n+]1C
InChIInChI=1S/C8H15N2/c1-5-8-7(2)9(3)6-10(8)4/h6H,5H2,1-4H3/q+1
InChIKeyLHOQNNJSZIOPNN-UHFFFAOYSA-N
XLogP0.72
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.72
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-Methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 10866391
1-tert-Butyl-4-(propan-2-yl)-5-(trifluoromethyl)-1H-imidazole
CID 14735431
1,4,5-Trimethyl-1H-imidazole
CID 573598
1H-Imidazole-4-ethanamine, 1,5-dimethyl-
CID 573597
4-Butyl-1,5-dipropylimidazole
CID 11769714
4-ethyl-5-methyl-1H-imidazole
CID 207292
1,3,4,5-Tetramethylimidazol-1-ium
CID 5252105
4,5-Dimethyl-1-propan-2-ylimidazole
CID 11988730
4,5-Diethyl-1H-imidazole
CID 12593759
1,3,4,5-Tetramethylimidazolium iodide
CID 24850667
1-Ethyl-3,4,5-trimethylimidazol-3-ium chloride
CID 139176859
N,N-dimethyl-2-(5-methyl-1H-imidazol-4-yl)ethanamine
CID 12456197

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,5-trimethylimidazol-3-ium?
The IUPAC name of 4-ethyl-1,3,5-trimethylimidazol-3-ium (CID 22979277) is 4-ethyl-1,3,5-trimethylimidazol-3-ium.
What is the SMILES notation for 4-ethyl-1,3,5-trimethylimidazol-3-ium?
The canonical SMILES for 4-ethyl-1,3,5-trimethylimidazol-3-ium is CCc1c(C)n(C)c[n+]1C.
What is the InChIKey of 4-ethyl-1,3,5-trimethylimidazol-3-ium?
The InChIKey is LHOQNNJSZIOPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-5-8-7(2)9(3)6-10(8)4/h6H,5H2,1-4H3/q+1.
What are the key properties of 4-ethyl-1,3,5-trimethylimidazol-3-ium?
4-ethyl-1,3,5-trimethylimidazol-3-ium has a molecular weight of 139.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,5-trimethylimidazol-3-ium is sourced from PubChem (CID 22979277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).