[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium

C16H17N2+ — CID 6391355

IUPAC[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium
SMILESCC(/C=[NH+]/c1ccccc1)=C\Nc1ccccc1
InChIInChI=1S/C16H16N2/c1-14(12-17-15-8-4-2-5-9-15)13-18-16-10-6-3-7-11-16/h2-13,17H,1H3/p+1/b14-12+,18-13+
InChIKeyNYZASXWCZPJELC-FBRLRESOSA-O
MW237.33 g/mol
LogP2.49
Rot. Bonds4

About [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium

[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium (PubChem CID 6391355) has the molecular formula C16H17N2+ and a molecular weight of 237.33 g/mol. Its IUPAC name is [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium.

Molecular Properties

Compound Name[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium
PubChem CID6391355
Molecular FormulaC16H17N2+
Molecular Weight237.33 g/mol
Exact Mass237.14
IUPAC Name[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium
SMILESCC(/C=[NH+]/c1ccccc1)=C\Nc1ccccc1
InChIInChI=1S/C16H16N2/c1-14(12-17-15-8-4-2-5-9-15)13-18-16-10-6-3-7-11-16/h2-13,17H,1H3/p+1/b14-12+,18-13+
InChIKeyNYZASXWCZPJELC-FBRLRESOSA-O
XLogP2.49
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium?
The IUPAC name of [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium (CID 6391355) is [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium.
What is the SMILES notation for [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium?
The canonical SMILES for [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium is CC(/C=[NH+]/c1ccccc1)=C\Nc1ccccc1.
What is the InChIKey of [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium?
The InChIKey is NYZASXWCZPJELC-FBRLRESOSA-O. The full InChI is InChI=1S/C16H16N2/c1-14(12-17-15-8-4-2-5-9-15)13-18-16-10-6-3-7-11-16/h2-13,17H,1H3/p+1/b14-12+,18-13+.
What are the key properties of [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium?
[(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium has a molecular weight of 237.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-anilino-2-methylprop-2-enylidene]-phenylazanium is sourced from PubChem (CID 6391355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).