[bromo(dimethylamino)methylidene]-dimethylazanium bromide

C5H12Br2N2 — CID 12638401

IUPAC[bromo(dimethylamino)methylidene]-dimethylazanium bromide
SMILESCN(C)C(Br)=[N+](C)C.[Br-]
InChIInChI=1S/C5H12BrN2.BrH/c1-7(2)5(6)8(3)4;/h1-4H3;1H/q+1;/p-1
InChIKeySGIOFVXDUNMSSG-UHFFFAOYSA-M
MW259.97 g/mol
LogP-2.42
Rot. Bonds

About [bromo(dimethylamino)methylidene]-dimethylazanium bromide

[bromo(dimethylamino)methylidene]-dimethylazanium bromide (PubChem CID 12638401) has the molecular formula C5H12Br2N2 and a molecular weight of 259.97 g/mol. Its IUPAC name is [bromo(dimethylamino)methylidene]-dimethylazanium bromide.

Molecular Properties

Compound Name[bromo(dimethylamino)methylidene]-dimethylazanium bromide
PubChem CID12638401
Molecular FormulaC5H12Br2N2
Molecular Weight259.97 g/mol
Exact Mass257.94
IUPAC Name[bromo(dimethylamino)methylidene]-dimethylazanium bromide
SMILESCN(C)C(Br)=[N+](C)C.[Br-]
InChIInChI=1S/C5H12BrN2.BrH/c1-7(2)5(6)8(3)4;/h1-4H3;1H/q+1;/p-1
InChIKeySGIOFVXDUNMSSG-UHFFFAOYSA-M
XLogP-2.42
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.97
LogP ≤ 5-2.42
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'}

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Frequently Asked Questions

What is the IUPAC name of [bromo(dimethylamino)methylidene]-dimethylazanium bromide?
The IUPAC name of [bromo(dimethylamino)methylidene]-dimethylazanium bromide (CID 12638401) is [bromo(dimethylamino)methylidene]-dimethylazanium bromide.
What is the SMILES notation for [bromo(dimethylamino)methylidene]-dimethylazanium bromide?
The canonical SMILES for [bromo(dimethylamino)methylidene]-dimethylazanium bromide is CN(C)C(Br)=[N+](C)C.[Br-].
What is the InChIKey of [bromo(dimethylamino)methylidene]-dimethylazanium bromide?
The InChIKey is SGIOFVXDUNMSSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12BrN2.BrH/c1-7(2)5(6)8(3)4;/h1-4H3;1H/q+1;/p-1.
What are the key properties of [bromo(dimethylamino)methylidene]-dimethylazanium bromide?
[bromo(dimethylamino)methylidene]-dimethylazanium bromide has a molecular weight of 259.97 g/mol, XLogP of -2.42, 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 bromide is sourced from PubChem (CID 12638401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).