tetrabutylazanium;hydrobromide;dihydrochloride

C16H39BrCl2N+ — CID 175588287

IUPACtetrabutylazanium;hydrobromide;dihydrochloride
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.Cl.Cl
InChIInChI=1S/C16H36N.BrH.2ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;
InChIKeyKQHVRTQWPRXPRF-UHFFFAOYSA-N
MW396.31 g/mol
LogP6.43
Rot. Bonds12

About tetrabutylazanium;hydrobromide;dihydrochloride

tetrabutylazanium;hydrobromide;dihydrochloride (PubChem CID 175588287) has the molecular formula C16H39BrCl2N+ and a molecular weight of 396.31 g/mol. Its IUPAC name is tetrabutylazanium;hydrobromide;dihydrochloride.

Molecular Properties

Compound Nametetrabutylazanium;hydrobromide;dihydrochloride
PubChem CID175588287
Molecular FormulaC16H39BrCl2N+
Molecular Weight396.31 g/mol
Exact Mass394.16
IUPAC Nametetrabutylazanium;hydrobromide;dihydrochloride
SMILESBr.CCCC[N+](CCCC)(CCCC)CCCC.Cl.Cl
InChIInChI=1S/C16H36N.BrH.2ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;
InChIKeyKQHVRTQWPRXPRF-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 56.43
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;hydrochloride
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tetraoctylazanium;hydrobromide;hydrochloride
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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
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CID 153322884
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CID 144841578

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;hydrobromide;dihydrochloride?
The IUPAC name of tetrabutylazanium;hydrobromide;dihydrochloride (CID 175588287) is tetrabutylazanium;hydrobromide;dihydrochloride.
What is the SMILES notation for tetrabutylazanium;hydrobromide;dihydrochloride?
The canonical SMILES for tetrabutylazanium;hydrobromide;dihydrochloride is Br.CCCC[N+](CCCC)(CCCC)CCCC.Cl.Cl.
What is the InChIKey of tetrabutylazanium;hydrobromide;dihydrochloride?
The InChIKey is KQHVRTQWPRXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.BrH.2ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;3*1H/q+1;;;.
What are the key properties of tetrabutylazanium;hydrobromide;dihydrochloride?
tetrabutylazanium;hydrobromide;dihydrochloride has a molecular weight of 396.31 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;hydrobromide;dihydrochloride is sourced from PubChem (CID 175588287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).