diethyl(methylidene)azanium bromide

C5H12BrN — CID 71332090

IUPACdiethyl(methylidene)azanium bromide
SMILESC=[N+](CC)CC.[Br-]
InChIInChI=1S/C5H12N.BrH/c1-4-6(3)5-2;/h3-5H2,1-2H3;1H/q+1;/p-1
InChIKeyZNUNKPQSIYQYLA-UHFFFAOYSA-M
MW166.06 g/mol
LogP-2.26
Rot. Bonds2

About diethyl(methylidene)azanium bromide

diethyl(methylidene)azanium bromide (PubChem CID 71332090) has the molecular formula C5H12BrN and a molecular weight of 166.06 g/mol. Its IUPAC name is diethyl(methylidene)azanium bromide.

Molecular Properties

Compound Namediethyl(methylidene)azanium bromide
PubChem CID71332090
Molecular FormulaC5H12BrN
Molecular Weight166.06 g/mol
Exact Mass165.02
IUPAC Namediethyl(methylidene)azanium bromide
SMILESC=[N+](CC)CC.[Br-]
InChIInChI=1S/C5H12N.BrH/c1-4-6(3)5-2;/h3-5H2,1-2H3;1H/q+1;/p-1
InChIKeyZNUNKPQSIYQYLA-UHFFFAOYSA-M
XLogP-2.26
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.06
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-deuterioethyl-ethyl-methylideneazanium
CID 158577030
CID 101035419
CID 101035419
ethyl-methylidene-prop-1-en-2-ylazanium
CID 123887458
dibutyl(methylidene)azanium chloride
CID 12719384
butane;manganese
CID 173124338
ethyl-methylidene-(2-methylprop-2-enoyl)azanium
CID 20705507
gold(1+);triethylphosphanium;bromide
CID 167377784
butyl-(methylaminomethyl)-methylideneazanium
CID 123374943
[(2R)-butan-2-yl]-methyl-methylideneazanium
CID 148928636
ethane;ethene;propane
CID 143348401
ethene;propane;hydroiodide
CID 142942633
lithium;magnesium;propane;tribromide
CID 175329034

Frequently Asked Questions

What is the IUPAC name of diethyl(methylidene)azanium bromide?
The IUPAC name of diethyl(methylidene)azanium bromide (CID 71332090) is diethyl(methylidene)azanium bromide.
What is the SMILES notation for diethyl(methylidene)azanium bromide?
The canonical SMILES for diethyl(methylidene)azanium bromide is C=[N+](CC)CC.[Br-].
What is the InChIKey of diethyl(methylidene)azanium bromide?
The InChIKey is ZNUNKPQSIYQYLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N.BrH/c1-4-6(3)5-2;/h3-5H2,1-2H3;1H/q+1;/p-1.
What are the key properties of diethyl(methylidene)azanium bromide?
diethyl(methylidene)azanium bromide has a molecular weight of 166.06 g/mol, XLogP of -2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(methylidene)azanium bromide is sourced from PubChem (CID 71332090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).