diethylazanium bromide

C4H12BrN — CID 22665

IUPACdiethylazanium bromide
SMILESCC[NH2+]CC.[Br-]
InChIInChI=1S/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyAATGHKSFEUVOPF-UHFFFAOYSA-N
MW154.05 g/mol
LogP-3.41
Rot. Bonds2

About diethylazanium bromide

diethylazanium bromide (PubChem CID 22665) has the molecular formula C4H12BrN and a molecular weight of 154.05 g/mol. Its IUPAC name is diethylazanium bromide.

Molecular Properties

Compound Namediethylazanium bromide
PubChem CID22665
Molecular FormulaC4H12BrN
Molecular Weight154.05 g/mol
Exact Mass153.02
IUPAC Namediethylazanium bromide
SMILESCC[NH2+]CC.[Br-]
InChIInChI=1S/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyAATGHKSFEUVOPF-UHFFFAOYSA-N
XLogP-3.41
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.05
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of diethylazanium bromide?
The IUPAC name of diethylazanium bromide (CID 22665) is diethylazanium bromide.
What is the SMILES notation for diethylazanium bromide?
The canonical SMILES for diethylazanium bromide is CC[NH2+]CC.[Br-].
What is the InChIKey of diethylazanium bromide?
The InChIKey is AATGHKSFEUVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of diethylazanium bromide?
diethylazanium bromide has a molecular weight of 154.05 g/mol, XLogP of -3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium bromide is sourced from PubChem (CID 22665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).