tributyl-[(dimethylamino)methyl]phosphanium bromide

C15H35BrNP — CID 19764988

IUPACtributyl-[(dimethylamino)methyl]phosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CN(C)C.[Br-]
InChIInChI=1S/C15H35NP.BrH/c1-6-9-12-17(13-10-7-2,14-11-8-3)15-16(4)5;/h6-15H2,1-5H3;1H/q+1;/p-1
InChIKeyPDSKJTREMWEURD-UHFFFAOYSA-M
MW340.33 g/mol
LogP1.93
Rot. Bonds11

About tributyl-[(dimethylamino)methyl]phosphanium bromide

tributyl-[(dimethylamino)methyl]phosphanium bromide (PubChem CID 19764988) has the molecular formula C15H35BrNP and a molecular weight of 340.33 g/mol. Its IUPAC name is tributyl-[(dimethylamino)methyl]phosphanium bromide.

Molecular Properties

Compound Nametributyl-[(dimethylamino)methyl]phosphanium bromide
PubChem CID19764988
Molecular FormulaC15H35BrNP
Molecular Weight340.33 g/mol
Exact Mass339.17
IUPAC Nametributyl-[(dimethylamino)methyl]phosphanium bromide
SMILESCCCC[P+](CCCC)(CCCC)CN(C)C.[Br-]
InChIInChI=1S/C15H35NP.BrH/c1-6-9-12-17(13-10-7-2,14-11-8-3)15-16(4)5;/h6-15H2,1-5H3;1H/q+1;/p-1
InChIKeyPDSKJTREMWEURD-UHFFFAOYSA-M
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(pentadecyl)phosphanium bromide
CID 86639781
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
dibutyl(dipentyl)phosphanium iodide
CID 87778767
butyl(triheptyl)phosphanium
CID 87777247
tributyl(ethyl)phosphanium;yttrium
CID 157495061

Frequently Asked Questions

What is the IUPAC name of tributyl-[(dimethylamino)methyl]phosphanium bromide?
The IUPAC name of tributyl-[(dimethylamino)methyl]phosphanium bromide (CID 19764988) is tributyl-[(dimethylamino)methyl]phosphanium bromide.
What is the SMILES notation for tributyl-[(dimethylamino)methyl]phosphanium bromide?
The canonical SMILES for tributyl-[(dimethylamino)methyl]phosphanium bromide is CCCC[P+](CCCC)(CCCC)CN(C)C.[Br-].
What is the InChIKey of tributyl-[(dimethylamino)methyl]phosphanium bromide?
The InChIKey is PDSKJTREMWEURD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H35NP.BrH/c1-6-9-12-17(13-10-7-2,14-11-8-3)15-16(4)5;/h6-15H2,1-5H3;1H/q+1;/p-1.
What are the key properties of tributyl-[(dimethylamino)methyl]phosphanium bromide?
tributyl-[(dimethylamino)methyl]phosphanium bromide has a molecular weight of 340.33 g/mol, XLogP of 1.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(dimethylamino)methyl]phosphanium bromide is sourced from PubChem (CID 19764988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).