tributyl(ethyl)azanium bromide

C14H32BrN — CID 19043781

IUPACtributyl(ethyl)azanium bromide
SMILESCCCC[N+](CC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C14H32N.BrH/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyQTNZUCWMRAIYCB-UHFFFAOYSA-M
MW294.32 g/mol
LogP1.23
Rot. Bonds10

About tributyl(ethyl)azanium bromide

tributyl(ethyl)azanium bromide (PubChem CID 19043781) has the molecular formula C14H32BrN and a molecular weight of 294.32 g/mol. Its IUPAC name is tributyl(ethyl)azanium bromide.

Molecular Properties

Compound Nametributyl(ethyl)azanium bromide
PubChem CID19043781
Molecular FormulaC14H32BrN
Molecular Weight294.32 g/mol
Exact Mass293.17
IUPAC Nametributyl(ethyl)azanium bromide
SMILESCCCC[N+](CC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C14H32N.BrH/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-14H2,1-4H3;1H/q+1;/p-1
InChIKeyQTNZUCWMRAIYCB-UHFFFAOYSA-M
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.23
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 tributyl(ethyl)azanium bromide?
The IUPAC name of tributyl(ethyl)azanium bromide (CID 19043781) is tributyl(ethyl)azanium bromide.
What is the SMILES notation for tributyl(ethyl)azanium bromide?
The canonical SMILES for tributyl(ethyl)azanium bromide is CCCC[N+](CC)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(ethyl)azanium bromide?
The InChIKey is QTNZUCWMRAIYCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32N.BrH/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;/h5-14H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(ethyl)azanium bromide?
tributyl(ethyl)azanium bromide has a molecular weight of 294.32 g/mol, XLogP of 1.23, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(ethyl)azanium bromide is sourced from PubChem (CID 19043781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).