triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide

C14H34BrN2+ — CID 54612490

IUPACtriethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
SMILESCC[N+](CC)(CC)CC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C14H34N2.BrH/c1-7-15(8-2,9-3)13-14-16(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+2;/p-1
InChIKeyBIVKRMURCPCPQS-UHFFFAOYSA-M
MW310.34 g/mol
LogP-0.26
Rot. Bonds9

About triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide

triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide (PubChem CID 54612490) has the molecular formula C14H34BrN2+ and a molecular weight of 310.34 g/mol. Its IUPAC name is triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide.

Molecular Properties

Compound Nametriethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
PubChem CID54612490
Molecular FormulaC14H34BrN2+
Molecular Weight310.34 g/mol
Exact Mass309.19
IUPAC Nametriethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
SMILESCC[N+](CC)(CC)CC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C14H34N2.BrH/c1-7-15(8-2,9-3)13-14-16(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+2;/p-1
InChIKeyBIVKRMURCPCPQS-UHFFFAOYSA-M
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.26
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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Related Compounds

triethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 169428569
docosyl(triethyl)azanium bromide
CID 71358281
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
triethyl(2-methylsulfonylsulfanylethyl)azanium bromide
CID 71752722
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
2-aminoethyl(triethyl)azanium chloride
CID 86212425
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
triethyl(11-hydroxyundecyl)azanium bromide
CID 71366854
diethyl(dipentyl)azanium bromide
CID 87777355

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide?
The IUPAC name of triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide (CID 54612490) is triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide.
What is the SMILES notation for triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide?
The canonical SMILES for triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide is CC[N+](CC)(CC)CC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide?
The InChIKey is BIVKRMURCPCPQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H34N2.BrH/c1-7-15(8-2,9-3)13-14-16(10-4,11-5)12-6;/h7-14H2,1-6H3;1H/q+2;/p-1.
What are the key properties of triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide?
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide has a molecular weight of 310.34 g/mol, XLogP of -0.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide is sourced from PubChem (CID 54612490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).