1,1-diethyl-2-methylimidazol-1-ium

C8H15N2+ — CID 150422346

IUPAC1,1-diethyl-2-methylimidazol-1-ium
SMILESCC[N+]1(CC)C=CN=C1C
InChIInChI=1S/C8H15N2/c1-4-10(5-2)7-6-9-8(10)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyHIBBILIJZOCOIQ-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.75
Rot. Bonds2

About 1,1-diethyl-2-methylimidazol-1-ium

1,1-diethyl-2-methylimidazol-1-ium (PubChem CID 150422346) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is 1,1-diethyl-2-methylimidazol-1-ium.

Molecular Properties

Compound Name1,1-diethyl-2-methylimidazol-1-ium
PubChem CID150422346
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name1,1-diethyl-2-methylimidazol-1-ium
SMILESCC[N+]1(CC)C=CN=C1C
InChIInChI=1S/C8H15N2/c1-4-10(5-2)7-6-9-8(10)3/h6-7H,4-5H2,1-3H3/q+1
InChIKeyHIBBILIJZOCOIQ-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-2-methyl-1-vinyl-1H-imidazole
CID 70936
1-Ethyl-1,2-dimethylimidazolium bromide
CID 139210624
1,1-Diethylimidazol-1-ium
CID 18377234
1-Ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium
CID 18760409
1,1,2-Trimethylimidazol-1-ium bromide
CID 21650256
1,1,2-Trimethylimidazol-1-ium
CID 21650257
1-Ethenyl-2-propyl-4,5-dihydroimidazole
CID 21868042
1-Ethenyl-2-ethyl-4,5-dihydroimidazole
CID 21868045
1-Ethenyl-2,3-dimethyl-4,5-dihydroimidazol-3-ium chloride
CID 22011674
1-Ethenyl-1,2-dimethylimidazol-1-ium chloride
CID 22400013
1-Ethenyl-2-(1-ethenyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole
CID 57090193
3-ethenyl-1-ethyl-2,5-dimethyl-4H-imidazol-3-ium-4-ide;rubidium(1+)
CID 59339962

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-methylimidazol-1-ium?
The IUPAC name of 1,1-diethyl-2-methylimidazol-1-ium (CID 150422346) is 1,1-diethyl-2-methylimidazol-1-ium.
What is the SMILES notation for 1,1-diethyl-2-methylimidazol-1-ium?
The canonical SMILES for 1,1-diethyl-2-methylimidazol-1-ium is CC[N+]1(CC)C=CN=C1C.
What is the InChIKey of 1,1-diethyl-2-methylimidazol-1-ium?
The InChIKey is HIBBILIJZOCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2/c1-4-10(5-2)7-6-9-8(10)3/h6-7H,4-5H2,1-3H3/q+1.
What are the key properties of 1,1-diethyl-2-methylimidazol-1-ium?
1,1-diethyl-2-methylimidazol-1-ium has a molecular weight of 139.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-methylimidazol-1-ium is sourced from PubChem (CID 150422346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).