ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium

C6H11N2+ — CID 123365081

IUPACethylidene-methyl-[2-(methylideneamino)ethenyl]azanium
SMILESC=NC=C/[N+](C)=C/C
InChIInChI=1S/C6H11N2/c1-4-8(3)6-5-7-2/h4-6H,2H2,1,3H3/q+1/b6-5?,8-4+
InChIKeyVWOADXQIWQDVGF-KEFBPMMISA-N
MW111.17 g/mol
LogP0.89
Rot. Bonds2

About ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium

ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium (PubChem CID 123365081) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium.

Molecular Properties

Compound Nameethylidene-methyl-[2-(methylideneamino)ethenyl]azanium
PubChem CID123365081
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Nameethylidene-methyl-[2-(methylideneamino)ethenyl]azanium
SMILESC=NC=C/[N+](C)=C/C
InChIInChI=1S/C6H11N2/c1-4-8(3)6-5-7-2/h4-6H,2H2,1,3H3/q+1/b6-5?,8-4+
InChIKeyVWOADXQIWQDVGF-KEFBPMMISA-N
XLogP0.89
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 ≤ 50.89
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'}

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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 ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium?
The IUPAC name of ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium (CID 123365081) is ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium.
What is the SMILES notation for ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium?
The canonical SMILES for ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium is C=NC=C/[N+](C)=C/C.
What is the InChIKey of ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium?
The InChIKey is VWOADXQIWQDVGF-KEFBPMMISA-N. The full InChI is InChI=1S/C6H11N2/c1-4-8(3)6-5-7-2/h4-6H,2H2,1,3H3/q+1/b6-5?,8-4+.
What are the key properties of ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium?
ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium has a molecular weight of 111.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium is sourced from PubChem (CID 123365081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).