2-ethenyliminoethylidene(dimethyl)azanium

C6H11N2+ — CID 123384146

IUPAC2-ethenyliminoethylidene(dimethyl)azanium
SMILESC=C/N=C/C=[N+](C)C
InChIInChI=1S/C6H11N2/c1-4-7-5-6-8(2)3/h4-6H,1H2,2-3H3/q+1/b7-5+
InChIKeyMIQYLNMFBPIPIF-FNORWQNLSA-N
MW111.17 g/mol
LogP0.54
Rot. Bonds2

About 2-ethenyliminoethylidene(dimethyl)azanium

2-ethenyliminoethylidene(dimethyl)azanium (PubChem CID 123384146) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 2-ethenyliminoethylidene(dimethyl)azanium.

Molecular Properties

Compound Name2-ethenyliminoethylidene(dimethyl)azanium
PubChem CID123384146
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name2-ethenyliminoethylidene(dimethyl)azanium
SMILESC=C/N=C/C=[N+](C)C
InChIInChI=1S/C6H11N2/c1-4-7-5-6-8(2)3/h4-6H,1H2,2-3H3/q+1/b7-5+
InChIKeyMIQYLNMFBPIPIF-FNORWQNLSA-N
XLogP0.54
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-ethenyliminoethylidene(dimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
6-Dimethylamino-2,5-diazafulvene
CID 10396839
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
(1E)-N-Ethenylethanimine
CID 13099158
Dihydromethylpyrazine
CID 21134130
N-ethylpyrazine
CID 90427580
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
[(Z)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 96570747
Pyrazinium, 1,4-dimethyl-
CID 17841205
1-propan-2-yl-2H-pyrazine
CID 20641789
1,2-dimethyl-2H-pyrazine
CID 20728182
(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine
CID 22084454

Frequently Asked Questions

What is the IUPAC name of 2-ethenyliminoethylidene(dimethyl)azanium?
The IUPAC name of 2-ethenyliminoethylidene(dimethyl)azanium (CID 123384146) is 2-ethenyliminoethylidene(dimethyl)azanium.
What is the SMILES notation for 2-ethenyliminoethylidene(dimethyl)azanium?
The canonical SMILES for 2-ethenyliminoethylidene(dimethyl)azanium is C=C/N=C/C=[N+](C)C.
What is the InChIKey of 2-ethenyliminoethylidene(dimethyl)azanium?
The InChIKey is MIQYLNMFBPIPIF-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N2/c1-4-7-5-6-8(2)3/h4-6H,1H2,2-3H3/q+1/b7-5+.
What are the key properties of 2-ethenyliminoethylidene(dimethyl)azanium?
2-ethenyliminoethylidene(dimethyl)azanium has a molecular weight of 111.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyliminoethylidene(dimethyl)azanium is sourced from PubChem (CID 123384146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).