tributyl(dodecyl)azanium bromide

C24H52BrN — CID 19858509

IUPACtributyl(dodecyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C24H52N.BrH/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyFGQQGDVRJUAQLN-UHFFFAOYSA-M
MW434.59 g/mol
LogP5.13
Rot. Bonds20

About tributyl(dodecyl)azanium bromide

tributyl(dodecyl)azanium bromide (PubChem CID 19858509) has the molecular formula C24H52BrN and a molecular weight of 434.59 g/mol. Its IUPAC name is tributyl(dodecyl)azanium bromide.

Molecular Properties

Compound Nametributyl(dodecyl)azanium bromide
PubChem CID19858509
Molecular FormulaC24H52BrN
Molecular Weight434.59 g/mol
Exact Mass433.33
IUPAC Nametributyl(dodecyl)azanium bromide
SMILESCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChIInChI=1S/C24H52N.BrH/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKeyFGQQGDVRJUAQLN-UHFFFAOYSA-M
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl(dihexadecyl)azanium bromide
CID 87776722
tributyl(octacosyl)azanium bromide
CID 153322850
tributyl(hexadecyl)azanium
CID 3083031
dodecyl(tripentyl)azanium bromide
CID 87778568
dibutyl(diheptyl)azanium
CID 87534229
tris(trihexyl(tetradecyl)azanium);tribromide
CID 170566569
bis(tetrahexylazanium) dibromide
CID 172733751
tributyl(heptyl)azanium
CID 5003685
tributyl(triacontyl)azanium
CID 153322884
trihexyl-[10-(trihexylazaniumyl)decyl]azanium dibromide
CID 86139253
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281

Frequently Asked Questions

What is the IUPAC name of tributyl(dodecyl)azanium bromide?
The IUPAC name of tributyl(dodecyl)azanium bromide (CID 19858509) is tributyl(dodecyl)azanium bromide.
What is the SMILES notation for tributyl(dodecyl)azanium bromide?
The canonical SMILES for tributyl(dodecyl)azanium bromide is CCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.[Br-].
What is the InChIKey of tributyl(dodecyl)azanium bromide?
The InChIKey is FGQQGDVRJUAQLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H52N.BrH/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tributyl(dodecyl)azanium bromide?
tributyl(dodecyl)azanium bromide has a molecular weight of 434.59 g/mol, XLogP of 5.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(dodecyl)azanium bromide is sourced from PubChem (CID 19858509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).