[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

C7H14BrN2+ — CID 57362079

IUPAC[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(Br)C=[N+](C)C
InChIInChI=1S/C7H14BrN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1
InChIKeyJHBXCYFIVGIZRY-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.13
Rot. Bonds2

About [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 57362079) has the molecular formula C7H14BrN2+ and a molecular weight of 206.11 g/mol. Its IUPAC name is [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID57362079
Molecular FormulaC7H14BrN2+
Molecular Weight206.11 g/mol
Exact Mass205.03
IUPAC Name[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)C=C(Br)C=[N+](C)C
InChIInChI=1S/C7H14BrN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1
InChIKeyJHBXCYFIVGIZRY-UHFFFAOYSA-N
XLogP1.13
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 57362079) is [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CN(C)C=C(Br)C=[N+](C)C.
What is the InChIKey of [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is JHBXCYFIVGIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1.
What are the key properties of [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 206.11 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 57362079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).