diethyl(dimethyl)azanium;bromide;hydrate

C6H18BrNO — CID 174914404

IUPACdiethyl(dimethyl)azanium;bromide;hydrate
SMILESCC[N+](C)(C)CC.O.[Br-]
InChIInChI=1S/C6H16N.BrH.H2O/c1-5-7(3,4)6-2;;/h5-6H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKeyTVAWGRJXXPTBQW-UHFFFAOYSA-M
MW200.12 g/mol
LogP-2.72
Rot. Bonds2

About diethyl(dimethyl)azanium;bromide;hydrate

diethyl(dimethyl)azanium;bromide;hydrate (PubChem CID 174914404) has the molecular formula C6H18BrNO and a molecular weight of 200.12 g/mol. Its IUPAC name is diethyl(dimethyl)azanium;bromide;hydrate.

Molecular Properties

Compound Namediethyl(dimethyl)azanium;bromide;hydrate
PubChem CID174914404
Molecular FormulaC6H18BrNO
Molecular Weight200.12 g/mol
Exact Mass199.06
IUPAC Namediethyl(dimethyl)azanium;bromide;hydrate
SMILESCC[N+](C)(C)CC.O.[Br-]
InChIInChI=1S/C6H16N.BrH.H2O/c1-5-7(3,4)6-2;;/h5-6H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKeyTVAWGRJXXPTBQW-UHFFFAOYSA-M
XLogP-2.72
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 5-2.72
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;hydrate?
The IUPAC name of diethyl(dimethyl)azanium;bromide;hydrate (CID 174914404) is diethyl(dimethyl)azanium;bromide;hydrate.
What is the SMILES notation for diethyl(dimethyl)azanium;bromide;hydrate?
The canonical SMILES for diethyl(dimethyl)azanium;bromide;hydrate is CC[N+](C)(C)CC.O.[Br-].
What is the InChIKey of diethyl(dimethyl)azanium;bromide;hydrate?
The InChIKey is TVAWGRJXXPTBQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N.BrH.H2O/c1-5-7(3,4)6-2;;/h5-6H2,1-4H3;1H;1H2/q+1;;/p-1.
What are the key properties of diethyl(dimethyl)azanium;bromide;hydrate?
diethyl(dimethyl)azanium;bromide;hydrate has a molecular weight of 200.12 g/mol, XLogP of -2.72, 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;hydrate is sourced from PubChem (CID 174914404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).