triethylazanium bromide

C6H16BrN — CID 12493

IUPACtriethylazanium bromide
SMILESCC[NH+](CC)CC.[Br-]
InChIInChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyNRTLTGGGUQIRRT-UHFFFAOYSA-N
MW182.10 g/mol
LogP-3.07
Rot. Bonds3

About triethylazanium bromide

triethylazanium bromide (PubChem CID 12493) has the molecular formula C6H16BrN and a molecular weight of 182.10 g/mol. Its IUPAC name is triethylazanium bromide.

Molecular Properties

Compound Nametriethylazanium bromide
PubChem CID12493
Molecular FormulaC6H16BrN
Molecular Weight182.10 g/mol
Exact Mass181.05
IUPAC Nametriethylazanium bromide
SMILESCC[NH+](CC)CC.[Br-]
InChIInChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
InChIKeyNRTLTGGGUQIRRT-UHFFFAOYSA-N
XLogP-3.07
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Diethylamine
CID 8021
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
1,4,7-Trimethyldiethylenetriamine
CID 66930
1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-dimethyl-
CID 90424
2-Ethylaminoethyldimethylamine
CID 67162
Diethylamine hydrobromide
CID 10986453
Triethylammonium
CID 1385867
Diethylammonium
CID 3793118
Triethylammonium iodide
CID 3014304
Diethylammonium bromide
CID 22665
Diethylamine N-d1
CID 136781
Diisopropylamine Hydrobromide
CID 12202996

Frequently Asked Questions

What is the IUPAC name of triethylazanium bromide?
The IUPAC name of triethylazanium bromide (CID 12493) is triethylazanium bromide.
What is the SMILES notation for triethylazanium bromide?
The canonical SMILES for triethylazanium bromide is CC[NH+](CC)CC.[Br-].
What is the InChIKey of triethylazanium bromide?
The InChIKey is NRTLTGGGUQIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H.
What are the key properties of triethylazanium bromide?
triethylazanium bromide has a molecular weight of 182.10 g/mol, XLogP of -3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium bromide is sourced from PubChem (CID 12493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).