trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide

C6H18Br2N2 — CID 141049689

IUPACtrimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide
SMILESC[NH2+]C(C)[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C6H17N2.2BrH/c1-6(7-2)8(3,4)5;;/h6-7H,1-5H3;2*1H/q+1;;/p-1
InChIKeyATUXIRHVJAWQSR-UHFFFAOYSA-M
MW278.03 g/mol
LogP-6.76
Rot. Bonds2

About trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide

trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide (PubChem CID 141049689) has the molecular formula C6H18Br2N2 and a molecular weight of 278.03 g/mol. Its IUPAC name is trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide.

Molecular Properties

Compound Nametrimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide
PubChem CID141049689
Molecular FormulaC6H18Br2N2
Molecular Weight278.03 g/mol
Exact Mass275.98
IUPAC Nametrimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide
SMILESC[NH2+]C(C)[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C6H17N2.2BrH/c1-6(7-2)8(3,4)5;;/h6-7H,1-5H3;2*1H/q+1;;/p-1
InChIKeyATUXIRHVJAWQSR-UHFFFAOYSA-M
XLogP-6.76
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.03
LogP ≤ 5-6.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(1-sulfanylethyl)azanium
CID 12234
ethane;ethylidene-di(propan-2-yl)azanium;methyl(propan-2-yl)azanium;trimethyl(propan-2-yl)azanium
CID 161260729
2-methylpropane;sulfane
CID 20976886
tris(1-ethoxyethyl(trimethyl)azanium);tribromide
CID 22153599
1-aminopropan-2-yl(trimethyl)azanium
CID 22491691
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
CID 147318009
difluoromethyl(trimethyl)azanium chloride
CID 13440985
trimethyl-[(Z)-4-(trimethylazaniumyl)pent-2-enyl]azanium dibromide
CID 24835970
trimethyl-[(2S)-1-[[(2R)-2-(trimethylazaniumyl)propyl]disulfanyl]propan-2-yl]azanium
CID 7452331
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861
tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide?
The IUPAC name of trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide (CID 141049689) is trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide.
What is the SMILES notation for trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide?
The canonical SMILES for trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide is C[NH2+]C(C)[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide?
The InChIKey is ATUXIRHVJAWQSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H17N2.2BrH/c1-6(7-2)8(3,4)5;;/h6-7H,1-5H3;2*1H/q+1;;/p-1.
What are the key properties of trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide?
trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide has a molecular weight of 278.03 g/mol, XLogP of -6.76, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(methylazaniumyl)ethyl]azanium dibromide is sourced from PubChem (CID 141049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).