tert-butyl(trimethyl)azanium bromide

C7H18BrN — CID 23065042

IUPACtert-butyl(trimethyl)azanium bromide
SMILESCC(C)(C)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H18N.BrH/c1-7(2,3)8(4,5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyHVKVNYAJZWWYSM-UHFFFAOYSA-M
MW196.13 g/mol
LogP-1.50
Rot. Bonds

About tert-butyl(trimethyl)azanium bromide

tert-butyl(trimethyl)azanium bromide (PubChem CID 23065042) has the molecular formula C7H18BrN and a molecular weight of 196.13 g/mol. Its IUPAC name is tert-butyl(trimethyl)azanium bromide.

Molecular Properties

Compound Nametert-butyl(trimethyl)azanium bromide
PubChem CID23065042
Molecular FormulaC7H18BrN
Molecular Weight196.13 g/mol
Exact Mass195.06
IUPAC Nametert-butyl(trimethyl)azanium bromide
SMILESCC(C)(C)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H18N.BrH/c1-7(2,3)8(4,5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyHVKVNYAJZWWYSM-UHFFFAOYSA-M
XLogP-1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-1.50
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

tert-butyl(triethyl)azanium bromide
CID 18979419
trimethyl(trichloromethyl)azanium bromide
CID 174952427
2-hydroxypropan-2-yl(trimethyl)azanium hydroxide
CID 88654299
CID 134991331
CID 134991331
ditert-butyl(dihydroxy)azanium
CID 163417202
trimethyl(2-methylbut-3-yn-2-yl)azanium chloride
CID 134977523
tert-butyl-dimethyl-(3-methylpentan-3-yl)azanium
CID 90750409
tetra((113C)methyl)azanium
CID 171381348
(3-hydroxy-3-methylbutyl)-trimethylazanium bromide
CID 71333434
tetratert-butylazanium tetrafluoroborate
CID 14646938
ditert-butyl(diethyl)azanium
CID 174667270
CID 173436174
CID 173436174

Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)azanium bromide?
The IUPAC name of tert-butyl(trimethyl)azanium bromide (CID 23065042) is tert-butyl(trimethyl)azanium bromide.
What is the SMILES notation for tert-butyl(trimethyl)azanium bromide?
The canonical SMILES for tert-butyl(trimethyl)azanium bromide is CC(C)(C)[N+](C)(C)C.[Br-].
What is the InChIKey of tert-butyl(trimethyl)azanium bromide?
The InChIKey is HVKVNYAJZWWYSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N.BrH/c1-7(2,3)8(4,5)6;/h1-6H3;1H/q+1;/p-1.
What are the key properties of tert-butyl(trimethyl)azanium bromide?
tert-butyl(trimethyl)azanium bromide has a molecular weight of 196.13 g/mol, XLogP of -1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trimethyl)azanium bromide is sourced from PubChem (CID 23065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).