1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium

C7H15N2+ — CID 20748340

IUPAC1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCC[N+]1(C)CCN=C1C
InChIInChI=1S/C7H15N2/c1-4-9(3)6-5-8-7(9)2/h4-6H2,1-3H3/q+1
InChIKeySTKYDZNQQXCUEY-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.88
Rot. Bonds1

About 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium

1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 20748340) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium
PubChem CID20748340
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Name1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium
SMILESCC[N+]1(C)CCN=C1C
InChIInChI=1S/C7H15N2/c1-4-9(3)6-5-8-7(9)2/h4-6H2,1-3H3/q+1
InChIKeySTKYDZNQQXCUEY-UHFFFAOYSA-N
XLogP0.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.88
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

1-Ethyl-2-methylimidazoline
CID 10996989
2-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 246524
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate
CID 499185
(1-methyl-4,5-dihydro-1H-imidazol-2-yl)methanamine dihydrochloride
CID 126796968
Ethyl imidazoline
CID 485092
3-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)propanenitrile
CID 12328383
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
2-Isopropyl-1-methyl-4,5-dihydro-1h-imidazole
CID 20484726
Tetramethylimid azoline
CID 20496079
3-Dimethylamino-2h-azirine
CID 129786217
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium
CID 499186
1,2,3-Triethyl-4,5-dihydro-1H-imidazolium
CID 499188

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium (CID 20748340) is 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium is CC[N+]1(C)CCN=C1C.
What is the InChIKey of 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is STKYDZNQQXCUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-4-9(3)6-5-8-7(9)2/h4-6H2,1-3H3/q+1.
What are the key properties of 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium?
1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 127.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2-dimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 20748340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).