[bromo(dimethylamino)methylidene]-dimethylazanium

C5H12BrN2+ — CID 12638402

IUPAC[bromo(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(Br)=[N+](C)C
InChIInChI=1S/C5H12BrN2/c1-7(2)5(6)8(3)4/h1-4H3/q+1
InChIKeyZAQNONRBOKSCNO-UHFFFAOYSA-N
MW180.07 g/mol
LogP0.57
Rot. Bonds

About [bromo(dimethylamino)methylidene]-dimethylazanium

[bromo(dimethylamino)methylidene]-dimethylazanium (PubChem CID 12638402) has the molecular formula C5H12BrN2+ and a molecular weight of 180.07 g/mol. Its IUPAC name is [bromo(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[bromo(dimethylamino)methylidene]-dimethylazanium
PubChem CID12638402
Molecular FormulaC5H12BrN2+
Molecular Weight180.07 g/mol
Exact Mass179.02
IUPAC Name[bromo(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(Br)=[N+](C)C
InChIInChI=1S/C5H12BrN2/c1-7(2)5(6)8(3)4/h1-4H3/q+1
InChIKeyZAQNONRBOKSCNO-UHFFFAOYSA-N
XLogP0.57
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.07
LogP ≤ 50.57
H-Bond Donors ≤ 50
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [bromo(dimethylamino)methylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [bromo(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [bromo(dimethylamino)methylidene]-dimethylazanium (CID 12638402) is [bromo(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [bromo(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [bromo(dimethylamino)methylidene]-dimethylazanium is CN(C)C(Br)=[N+](C)C.
What is the InChIKey of [bromo(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is ZAQNONRBOKSCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrN2/c1-7(2)5(6)8(3)4/h1-4H3/q+1.
What are the key properties of [bromo(dimethylamino)methylidene]-dimethylazanium?
[bromo(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 180.07 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 12638402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).