[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride

C9H12Cl3N3 — CID 135518416

IUPAC[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride
SMILESC[N+](C)=C(N)Nc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C9H11Cl2N3.ClH/c1-14(2)9(12)13-8-6(10)4-3-5-7(8)11;/h3-5H,1-2H3,(H2,12,13);1H
InChIKeyKOJUGTGXMMDWFF-UHFFFAOYSA-N
MW268.57 g/mol
LogP-1.00
Rot. Bonds1

About [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride

[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride (PubChem CID 135518416) has the molecular formula C9H12Cl3N3 and a molecular weight of 268.57 g/mol. Its IUPAC name is [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride
PubChem CID135518416
Molecular FormulaC9H12Cl3N3
Molecular Weight268.57 g/mol
Exact Mass267.01
IUPAC Name[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride
SMILESC[N+](C)=C(N)Nc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C9H11Cl2N3.ClH/c1-14(2)9(12)13-8-6(10)4-3-5-7(8)11;/h3-5H,1-2H3,(H2,12,13);1H
InChIKeyKOJUGTGXMMDWFF-UHFFFAOYSA-N
XLogP-1.00
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride?
The IUPAC name of [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride (CID 135518416) is [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride.
What is the SMILES notation for [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride?
The canonical SMILES for [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride is C[N+](C)=C(N)Nc1c(Cl)cccc1Cl.[Cl-].
What is the InChIKey of [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride?
The InChIKey is KOJUGTGXMMDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3.ClH/c1-14(2)9(12)13-8-6(10)4-3-5-7(8)11;/h3-5H,1-2H3,(H2,12,13);1H.
What are the key properties of [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride?
[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride has a molecular weight of 268.57 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2,6-dichloroanilino)methylidene]-dimethylazanium chloride is sourced from PubChem (CID 135518416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).