diethyl(dimethyl)azanium bromide

C6H16BrN — CID 15920409

IUPACdiethyl(dimethyl)azanium bromide
SMILESCC[N+](C)(C)CC.[Br-]
InChIInChI=1S/C6H16N.BrH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyYYWWIAMIOQXSER-UHFFFAOYSA-M
MW182.10 g/mol
LogP-1.89
Rot. Bonds2

About diethyl(dimethyl)azanium bromide

diethyl(dimethyl)azanium bromide (PubChem CID 15920409) has the molecular formula C6H16BrN and a molecular weight of 182.10 g/mol. Its IUPAC name is diethyl(dimethyl)azanium bromide.

Molecular Properties

Compound Namediethyl(dimethyl)azanium bromide
PubChem CID15920409
Molecular FormulaC6H16BrN
Molecular Weight182.10 g/mol
Exact Mass181.05
IUPAC Namediethyl(dimethyl)azanium bromide
SMILESCC[N+](C)(C)CC.[Br-]
InChIInChI=1S/C6H16N.BrH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyYYWWIAMIOQXSER-UHFFFAOYSA-M
XLogP-1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 5-1.89
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 diethyl(dimethyl)azanium bromide?
The IUPAC name of diethyl(dimethyl)azanium bromide (CID 15920409) is diethyl(dimethyl)azanium bromide.
What is the SMILES notation for diethyl(dimethyl)azanium bromide?
The canonical SMILES for diethyl(dimethyl)azanium bromide is CC[N+](C)(C)CC.[Br-].
What is the InChIKey of diethyl(dimethyl)azanium bromide?
The InChIKey is YYWWIAMIOQXSER-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N.BrH/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl(dimethyl)azanium bromide?
diethyl(dimethyl)azanium bromide has a molecular weight of 182.10 g/mol, XLogP of -1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dimethyl)azanium bromide is sourced from PubChem (CID 15920409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).