[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide

C11H24Br4N2 — CID 71966197

IUPAC[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide
SMILESC[N+](C)(C)CC=C(Br)C(Br)C[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H24Br2N2.2BrH/c1-14(2,3)8-7-10(12)11(13)9-15(4,5)6;;/h7,11H,8-9H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFPZYZPJERIRDJG-UHFFFAOYSA-L
MW503.94 g/mol
LogP-3.55
Rot. Bonds5

About [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide

[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide (PubChem CID 71966197) has the molecular formula C11H24Br4N2 and a molecular weight of 503.94 g/mol. Its IUPAC name is [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide.

Molecular Properties

Compound Name[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide
PubChem CID71966197
Molecular FormulaC11H24Br4N2
Molecular Weight503.94 g/mol
Exact Mass499.87
IUPAC Name[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide
SMILESC[N+](C)(C)CC=C(Br)C(Br)C[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C11H24Br2N2.2BrH/c1-14(2,3)8-7-10(12)11(13)9-15(4,5)6;;/h7,11H,8-9H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFPZYZPJERIRDJG-UHFFFAOYSA-L
XLogP-3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.94
LogP ≤ 5-3.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-hydroxypropyl)-trimethylazanium bromide
CID 15617985
[(E)-3-chlorobut-2-enyl]-trimethylazanium
CID 54605638
(1,4-dibromo-2-methylbut-2-enyl)-trimethylazanium bromide
CID 71409111
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027381
(2-hydroxy-2-sulfanylethyl)-trimethylazanium
CID 87329040
1-hydroxy-2-(trimethylazaniumyl)ethanolate
CID 57464204
[2-hydroxy-3-[[2-hydroxy-3-[[2-hydroxy-3-(trimethylazaniumyl)propyl]-dimethylazaniumyl]propyl]-dimethylazaniumyl]propyl]-trimethylazanium
CID 102027380
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
(2-hydroxy-3-oxopropyl)-trimethylazanium chloride
CID 158373380
3-hydroxyprop-2-enyl(trimethyl)azanium chloride
CID 174591801
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336

Frequently Asked Questions

What is the IUPAC name of [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide?
The IUPAC name of [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide (CID 71966197) is [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide.
What is the SMILES notation for [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide?
The canonical SMILES for [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide is C[N+](C)(C)CC=C(Br)C(Br)C[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide?
The InChIKey is FPZYZPJERIRDJG-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H24Br2N2.2BrH/c1-14(2,3)8-7-10(12)11(13)9-15(4,5)6;;/h7,11H,8-9H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide?
[2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide has a molecular weight of 503.94 g/mol, XLogP of -3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dibromo-5-(trimethylazaniumyl)pent-3-enyl]-trimethylazanium dibromide is sourced from PubChem (CID 71966197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).