dodecyl(trimethyl)azanium;bromide;dihydrobromide

C15H36Br3N — CID 173358301

IUPACdodecyl(trimethyl)azanium;bromide;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C15H34N.3BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyXQWTXHFCATVNTB-UHFFFAOYSA-M
MW470.17 g/mol
LogP2.77
Rot. Bonds11

About dodecyl(trimethyl)azanium;bromide;dihydrobromide

dodecyl(trimethyl)azanium;bromide;dihydrobromide (PubChem CID 173358301) has the molecular formula C15H36Br3N and a molecular weight of 470.17 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium;bromide;dihydrobromide.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium;bromide;dihydrobromide
PubChem CID173358301
Molecular FormulaC15H36Br3N
Molecular Weight470.17 g/mol
Exact Mass467.04
IUPAC Namedodecyl(trimethyl)azanium;bromide;dihydrobromide
SMILESBr.Br.CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C15H34N.3BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;3*1H/q+1;;;/p-1
InChIKeyXQWTXHFCATVNTB-UHFFFAOYSA-M
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.17
LogP ≤ 52.77
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

trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
azane;trimethyl(octyl)azanium;bromide
CID 175301747
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074
azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium;bromide;dihydrobromide?
The IUPAC name of dodecyl(trimethyl)azanium;bromide;dihydrobromide (CID 173358301) is dodecyl(trimethyl)azanium;bromide;dihydrobromide.
What is the SMILES notation for dodecyl(trimethyl)azanium;bromide;dihydrobromide?
The canonical SMILES for dodecyl(trimethyl)azanium;bromide;dihydrobromide is Br.Br.CCCCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of dodecyl(trimethyl)azanium;bromide;dihydrobromide?
The InChIKey is XQWTXHFCATVNTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H34N.3BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;/h5-15H2,1-4H3;3*1H/q+1;;;/p-1.
What are the key properties of dodecyl(trimethyl)azanium;bromide;dihydrobromide?
dodecyl(trimethyl)azanium;bromide;dihydrobromide has a molecular weight of 470.17 g/mol, XLogP of 2.77, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium;bromide;dihydrobromide is sourced from PubChem (CID 173358301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).