tert-butyl(triethyl)azanium bromide

C10H24BrN — CID 18979419

IUPACtert-butyl(triethyl)azanium bromide
SMILESCC[N+](CC)(CC)C(C)(C)C.[Br-]
InChIInChI=1S/C10H24N.BrH/c1-7-11(8-2,9-3)10(4,5)6;/h7-9H2,1-6H3;1H/q+1;/p-1
InChIKeyLBDHDXDVSBPENH-UHFFFAOYSA-M
MW238.21 g/mol
LogP-0.33
Rot. Bonds3

About tert-butyl(triethyl)azanium bromide

tert-butyl(triethyl)azanium bromide (PubChem CID 18979419) has the molecular formula C10H24BrN and a molecular weight of 238.21 g/mol. Its IUPAC name is tert-butyl(triethyl)azanium bromide.

Molecular Properties

Compound Nametert-butyl(triethyl)azanium bromide
PubChem CID18979419
Molecular FormulaC10H24BrN
Molecular Weight238.21 g/mol
Exact Mass237.11
IUPAC Nametert-butyl(triethyl)azanium bromide
SMILESCC[N+](CC)(CC)C(C)(C)C.[Br-]
InChIInChI=1S/C10H24N.BrH/c1-7-11(8-2,9-3)10(4,5)6;/h7-9H2,1-6H3;1H/q+1;/p-1
InChIKeyLBDHDXDVSBPENH-UHFFFAOYSA-M
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.33
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

N-Isopropyl-N-methyl-tert-butylamine
CID 4406926
N-ethyl-N,2-dimethylpropan-2-amine
CID 22648347
N-Ethyl-N,2-dimethylbutan-2-amine--hydrogen bromide (1/1)
CID 118443
Propylamine, N,1-diethyl-N,1-dimethyl-, hydrobromide
CID 118447
Propylamine, N-methyl-N,1,1-triethyl-, hydrobromide
CID 118449
Diethyl tert-butylamine
CID 524230
N-ethyldiisopropylamine hydrobromide
CID 21266000
N,N'-ditert-butyl-N,N'-dimethylethane-1,2-diamine
CID 86242166
N,N-di-t-butyl-N,N-dimethylethylenediamine
CID 129852605
N-ethyl-N,2-dimethylbutan-2-amine
CID 118444
N-ethyl-N-(2-fluoroethyl)-2-methylpropan-2-amine
CID 59028516
N-(3-fluoropropyl)-N,2-dimethylpropan-2-amine
CID 134429381

Frequently Asked Questions

What is the IUPAC name of tert-butyl(triethyl)azanium bromide?
The IUPAC name of tert-butyl(triethyl)azanium bromide (CID 18979419) is tert-butyl(triethyl)azanium bromide.
What is the SMILES notation for tert-butyl(triethyl)azanium bromide?
The canonical SMILES for tert-butyl(triethyl)azanium bromide is CC[N+](CC)(CC)C(C)(C)C.[Br-].
What is the InChIKey of tert-butyl(triethyl)azanium bromide?
The InChIKey is LBDHDXDVSBPENH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24N.BrH/c1-7-11(8-2,9-3)10(4,5)6;/h7-9H2,1-6H3;1H/q+1;/p-1.
What are the key properties of tert-butyl(triethyl)azanium bromide?
tert-butyl(triethyl)azanium bromide has a molecular weight of 238.21 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(triethyl)azanium bromide is sourced from PubChem (CID 18979419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).