tetrabutylazanium;hydrobromide;hydrochloride

C16H38BrClN+ — CID 174732596

IUPACtetrabutylazanium;hydrobromide;hydrochloride
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.Cl
InChIInChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;
InChIKeySJDXDQQSKGKRLJ-UHFFFAOYSA-N
MW359.84 g/mol
LogP6.00
Rot. Bonds12

About tetrabutylazanium;hydrobromide;hydrochloride

tetrabutylazanium;hydrobromide;hydrochloride (PubChem CID 174732596) has the molecular formula C16H38BrClN+ and a molecular weight of 359.84 g/mol. Its IUPAC name is tetrabutylazanium;hydrobromide;hydrochloride.

Molecular Properties

Compound Nametetrabutylazanium;hydrobromide;hydrochloride
PubChem CID174732596
Molecular FormulaC16H38BrClN+
Molecular Weight359.84 g/mol
Exact Mass358.19
IUPAC Nametetrabutylazanium;hydrobromide;hydrochloride
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.Cl
InChIInChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;
InChIKeySJDXDQQSKGKRLJ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.84
LogP ≤ 56.00
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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Related Compounds

tetrabutylazanium;hydrobromide;dihydrochloride
CID 175588287
tetrabutylazanium;chloride;hydrobromide
CID 160850218
hydron;tetrabutylazanium;hydrobromide
CID 173127393
tetraoctylazanium;hydrobromide;hydrochloride
CID 87961078
tetraheptylazanium;hydrobromide;hydrochloride
CID 175577779
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
tributyl(triacontyl)azanium
CID 153322884
tributyl(hexadecyl)azanium
CID 3083031

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;hydrobromide;hydrochloride?
The IUPAC name of tetrabutylazanium;hydrobromide;hydrochloride (CID 174732596) is tetrabutylazanium;hydrobromide;hydrochloride.
What is the SMILES notation for tetrabutylazanium;hydrobromide;hydrochloride?
The canonical SMILES for tetrabutylazanium;hydrobromide;hydrochloride is Br.CCCC[N+](CCCC)(CCCC)CCCC.Cl.
What is the InChIKey of tetrabutylazanium;hydrobromide;hydrochloride?
The InChIKey is SJDXDQQSKGKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.BrH.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;.
What are the key properties of tetrabutylazanium;hydrobromide;hydrochloride?
tetrabutylazanium;hydrobromide;hydrochloride has a molecular weight of 359.84 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;hydrobromide;hydrochloride is sourced from PubChem (CID 174732596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).