1-aminoethylidene-ethenyl-methylazanium

C5H11N2+ — CID 123879322

IUPAC1-aminoethylidene-ethenyl-methylazanium
SMILESC=C/[N+](C)=C(\C)N
InChIInChI=1S/C5H10N2/c1-4-7(3)5(2)6/h4,6H,1H2,2-3H3/p+1
InChIKeyVWTAYQGWDQUKKL-UHFFFAOYSA-O
MW99.16 g/mol
LogP0.15
Rot. Bonds1

About 1-aminoethylidene-ethenyl-methylazanium

1-aminoethylidene-ethenyl-methylazanium (PubChem CID 123879322) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 1-aminoethylidene-ethenyl-methylazanium.

Molecular Properties

Compound Name1-aminoethylidene-ethenyl-methylazanium
PubChem CID123879322
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1-aminoethylidene-ethenyl-methylazanium
SMILESC=C/[N+](C)=C(\C)N
InChIInChI=1S/C5H10N2/c1-4-7(3)5(2)6/h4,6H,1H2,2-3H3/p+1
InChIKeyVWTAYQGWDQUKKL-UHFFFAOYSA-O
XLogP0.15
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethylimidazolium chloride
CID 66809752
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1,1,2-Trimethylimidazol-1-ium
CID 21650257
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
CID 66874945
1,2-dimethyl-1H-imidazol-1-ium iodide
CID 67060368
1-methyl-2H-pyrazin-3-amine
CID 67255381
2-(Dimethylaminomethylidene)imidazol-4-amine
CID 68804972
1,1,2-Trimethylimidazol-1-ium-4-amine
CID 69338410
1,2-dimethyl-1H-imidazol-1-ium bromide
CID 70301848
N-ethenyl-N'-ethylethanimidamide
CID 87281065
N'-(ethenyliminomethyl)ethanimidamide
CID 88888742

Frequently Asked Questions

What is the IUPAC name of 1-aminoethylidene-ethenyl-methylazanium?
The IUPAC name of 1-aminoethylidene-ethenyl-methylazanium (CID 123879322) is 1-aminoethylidene-ethenyl-methylazanium.
What is the SMILES notation for 1-aminoethylidene-ethenyl-methylazanium?
The canonical SMILES for 1-aminoethylidene-ethenyl-methylazanium is C=C/[N+](C)=C(\C)N.
What is the InChIKey of 1-aminoethylidene-ethenyl-methylazanium?
The InChIKey is VWTAYQGWDQUKKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2/c1-4-7(3)5(2)6/h4,6H,1H2,2-3H3/p+1.
What are the key properties of 1-aminoethylidene-ethenyl-methylazanium?
1-aminoethylidene-ethenyl-methylazanium has a molecular weight of 99.16 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylidene-ethenyl-methylazanium is sourced from PubChem (CID 123879322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).