trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide

C8H22Br2N2 — CID 71381310

IUPACtrimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
SMILESC[N+](C)(C)CC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C8H22N2.2BrH/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyDAYDMCVTZCGPET-UHFFFAOYSA-L
MW306.09 g/mol
LogP-5.59
Rot. Bonds3

About trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide

trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide (PubChem CID 71381310) has the molecular formula C8H22Br2N2 and a molecular weight of 306.09 g/mol. Its IUPAC name is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
PubChem CID71381310
Molecular FormulaC8H22Br2N2
Molecular Weight306.09 g/mol
Exact Mass304.01
IUPAC Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
SMILESC[N+](C)(C)CC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C8H22N2.2BrH/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyDAYDMCVTZCGPET-UHFFFAOYSA-L
XLogP-5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide?
The IUPAC name of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide (CID 71381310) is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide.
What is the SMILES notation for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide?
The canonical SMILES for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide is C[N+](C)(C)CC[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide?
The InChIKey is DAYDMCVTZCGPET-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H22N2.2BrH/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide?
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide has a molecular weight of 306.09 g/mol, XLogP of -5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide is sourced from PubChem (CID 71381310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).