phosphanium;dodecyl(trimethyl)azanium;dibromide

C15H38Br2NP — CID 158330672

IUPACphosphanium;dodecyl(trimethyl)azanium;dibromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-].[PH4+]
InChIInChI=1S/C15H34N.2BrH.H3P/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyYPUBAVFKLCCWDK-UHFFFAOYSA-M
MW423.26 g/mol
LogP-1.59
Rot. Bonds11

About phosphanium;dodecyl(trimethyl)azanium;dibromide

phosphanium;dodecyl(trimethyl)azanium;dibromide (PubChem CID 158330672) has the molecular formula C15H38Br2NP and a molecular weight of 423.26 g/mol. Its IUPAC name is phosphanium;dodecyl(trimethyl)azanium;dibromide.

Molecular Properties

Compound Namephosphanium;dodecyl(trimethyl)azanium;dibromide
PubChem CID158330672
Molecular FormulaC15H38Br2NP
Molecular Weight423.26 g/mol
Exact Mass421.11
IUPAC Namephosphanium;dodecyl(trimethyl)azanium;dibromide
SMILESCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-].[PH4+]
InChIInChI=1S/C15H34N.2BrH.H3P/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyYPUBAVFKLCCWDK-UHFFFAOYSA-M
XLogP-1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
trimethyl(pentacontyl)azanium bromide
CID 118223247
azane;trimethyl(octyl)azanium;bromide
CID 175301747
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
butyl(trimethyl)azanium;trimethyl(octyl)azanium
CID 87103767
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611

Frequently Asked Questions

What is the IUPAC name of phosphanium;dodecyl(trimethyl)azanium;dibromide?
The IUPAC name of phosphanium;dodecyl(trimethyl)azanium;dibromide (CID 158330672) is phosphanium;dodecyl(trimethyl)azanium;dibromide.
What is the SMILES notation for phosphanium;dodecyl(trimethyl)azanium;dibromide?
The canonical SMILES for phosphanium;dodecyl(trimethyl)azanium;dibromide is CCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-].[PH4+].
What is the InChIKey of phosphanium;dodecyl(trimethyl)azanium;dibromide?
The InChIKey is YPUBAVFKLCCWDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.2BrH.H3P/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of phosphanium;dodecyl(trimethyl)azanium;dibromide?
phosphanium;dodecyl(trimethyl)azanium;dibromide has a molecular weight of 423.26 g/mol, XLogP of -1.59, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium;dodecyl(trimethyl)azanium;dibromide is sourced from PubChem (CID 158330672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).