ethenyl-(methylaminomethyl)-methylideneazanium

C5H11N2+ — CID 123192911

IUPACethenyl-(methylaminomethyl)-methylideneazanium
SMILESC=C[N+](=C)CNC
InChIInChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4,6H,1,3,5H2,2H3/q+1
InChIKeyGOOXNYOIQQEQMZ-UHFFFAOYSA-N
MW99.16 g/mol
LogP0.02
Rot. Bonds3

About ethenyl-(methylaminomethyl)-methylideneazanium

ethenyl-(methylaminomethyl)-methylideneazanium (PubChem CID 123192911) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is ethenyl-(methylaminomethyl)-methylideneazanium.

Molecular Properties

Compound Nameethenyl-(methylaminomethyl)-methylideneazanium
PubChem CID123192911
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Nameethenyl-(methylaminomethyl)-methylideneazanium
SMILESC=C[N+](=C)CNC
InChIInChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4,6H,1,3,5H2,2H3/q+1
InChIKeyGOOXNYOIQQEQMZ-UHFFFAOYSA-N
XLogP0.02
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1 h-imidazole
CID 5254862
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
1,3-Dimethyl-1H-imidazolium iodide
CID 23618276
1-Ethenyl-3-methyl-1,2-dihydroimidazol-1-ium chloride
CID 53447165
3-Ethyl-1-methyl-1,2-dihydroimidazol-1-ium
CID 101098827
Dimethylaminoazirine
CID 129786117
2,3-Dimethyl-1,2-dihydroimidazole
CID 5250105
1-Ethyl-2,3-dihydro-1H-imidazole
CID 18759384
3-methyl-2-methylidene-1H-imidazole
CID 19869885
3-Ethenyl-1,2-dihydroimidazole
CID 20037100
3,3-Dimethyl-1,2-dihydroimidazol-3-ium
CID 21977286
4-methyl-1H-pyrazin-2-amine
CID 22046305

Frequently Asked Questions

What is the IUPAC name of ethenyl-(methylaminomethyl)-methylideneazanium?
The IUPAC name of ethenyl-(methylaminomethyl)-methylideneazanium (CID 123192911) is ethenyl-(methylaminomethyl)-methylideneazanium.
What is the SMILES notation for ethenyl-(methylaminomethyl)-methylideneazanium?
The canonical SMILES for ethenyl-(methylaminomethyl)-methylideneazanium is C=C[N+](=C)CNC.
What is the InChIKey of ethenyl-(methylaminomethyl)-methylideneazanium?
The InChIKey is GOOXNYOIQQEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-4-7(3)5-6-2/h4,6H,1,3,5H2,2H3/q+1.
What are the key properties of ethenyl-(methylaminomethyl)-methylideneazanium?
ethenyl-(methylaminomethyl)-methylideneazanium has a molecular weight of 99.16 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(methylaminomethyl)-methylideneazanium is sourced from PubChem (CID 123192911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).