tetraethylazanium bromide

C8H20BrN — CID 6285

IUPACtetraethylazanium bromide
SMILESCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyHWCKGOZZJDHMNC-UHFFFAOYSA-M
MW210.16 g/mol
LogP-1.11
Rot. Bonds4

About tetraethylazanium bromide

tetraethylazanium bromide (PubChem CID 6285) has the molecular formula C8H20BrN and a molecular weight of 210.16 g/mol. Its IUPAC name is tetraethylazanium bromide.

Molecular Properties

Compound Nametetraethylazanium bromide
PubChem CID6285
Molecular FormulaC8H20BrN
Molecular Weight210.16 g/mol
Exact Mass209.08
IUPAC Nametetraethylazanium bromide
SMILESCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyHWCKGOZZJDHMNC-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-1.11
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 tetraethylazanium bromide?
The IUPAC name of tetraethylazanium bromide (CID 6285) is tetraethylazanium bromide.
What is the SMILES notation for tetraethylazanium bromide?
The canonical SMILES for tetraethylazanium bromide is CC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of tetraethylazanium bromide?
The InChIKey is HWCKGOZZJDHMNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetraethylazanium bromide?
tetraethylazanium bromide has a molecular weight of 210.16 g/mol, XLogP of -1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium bromide is sourced from PubChem (CID 6285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).