[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium

C13H19N2O+ — CID 142353699

IUPAC[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium
SMILESCc1cc(C)cc(CO/C=[N+](C)/C=C\N)c1
InChIInChI=1S/C13H19N2O/c1-11-6-12(2)8-13(7-11)9-16-10-15(3)5-4-14/h4-8,10H,9,14H2,1-3H3/q+1/b5-4-,15-10+
InChIKeyVOAVIRDWIDSMJI-ASYGCKNGSA-N
MW219.31 g/mol
LogP1.92
Rot. Bonds4

About [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium

[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium (PubChem CID 142353699) has the molecular formula C13H19N2O+ and a molecular weight of 219.31 g/mol. Its IUPAC name is [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium.

Molecular Properties

Compound Name[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium
PubChem CID142353699
Molecular FormulaC13H19N2O+
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium
SMILESCc1cc(C)cc(CO/C=[N+](C)/C=C\N)c1
InChIInChI=1S/C13H19N2O/c1-11-6-12(2)8-13(7-11)9-16-10-15(3)5-4-14/h4-8,10H,9,14H2,1-3H3/q+1/b5-4-,15-10+
InChIKeyVOAVIRDWIDSMJI-ASYGCKNGSA-N
XLogP1.92
TPSA38.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium?
The IUPAC name of [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium (CID 142353699) is [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium.
What is the SMILES notation for [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium?
The canonical SMILES for [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium is Cc1cc(C)cc(CO/C=[N+](C)/C=C\N)c1.
What is the InChIKey of [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium?
The InChIKey is VOAVIRDWIDSMJI-ASYGCKNGSA-N. The full InChI is InChI=1S/C13H19N2O/c1-11-6-12(2)8-13(7-11)9-16-10-15(3)5-4-14/h4-8,10H,9,14H2,1-3H3/q+1/b5-4-,15-10+.
What are the key properties of [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium?
[(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium has a molecular weight of 219.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-aminoethenyl]-[(3,5-dimethylphenyl)methoxymethylidene]-methylazanium is sourced from PubChem (CID 142353699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).