trimethyl(octyl)azanium;trihydrobromide

C11H29Br3N+ — CID 173358284

IUPACtrimethyl(octyl)azanium;trihydrobromide
SMILESBr.Br.Br.CCCCCCCC[N+](C)(C)C
InChIInChI=1S/C11H26N.3BrH/c1-5-6-7-8-9-10-11-12(2,3)4;;;/h5-11H2,1-4H3;3*1H/q+1;;;
InChIKeyDMEHWFFOONZIMH-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.79
Rot. Bonds7

About trimethyl(octyl)azanium;trihydrobromide

trimethyl(octyl)azanium;trihydrobromide (PubChem CID 173358284) has the molecular formula C11H29Br3N+ and a molecular weight of 415.07 g/mol. Its IUPAC name is trimethyl(octyl)azanium;trihydrobromide.

Molecular Properties

Compound Nametrimethyl(octyl)azanium;trihydrobromide
PubChem CID173358284
Molecular FormulaC11H29Br3N+
Molecular Weight415.07 g/mol
Exact Mass411.98
IUPAC Nametrimethyl(octyl)azanium;trihydrobromide
SMILESBr.Br.Br.CCCCCCCC[N+](C)(C)C
InChIInChI=1S/C11H26N.3BrH/c1-5-6-7-8-9-10-11-12(2,3)4;;;/h5-11H2,1-4H3;3*1H/q+1;;;
InChIKeyDMEHWFFOONZIMH-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.79
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

dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074
icosyl(trimethyl)azanium hydroxide
CID 21324498
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399

Frequently Asked Questions

What is the IUPAC name of trimethyl(octyl)azanium;trihydrobromide?
The IUPAC name of trimethyl(octyl)azanium;trihydrobromide (CID 173358284) is trimethyl(octyl)azanium;trihydrobromide.
What is the SMILES notation for trimethyl(octyl)azanium;trihydrobromide?
The canonical SMILES for trimethyl(octyl)azanium;trihydrobromide is Br.Br.Br.CCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(octyl)azanium;trihydrobromide?
The InChIKey is DMEHWFFOONZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N.3BrH/c1-5-6-7-8-9-10-11-12(2,3)4;;;/h5-11H2,1-4H3;3*1H/q+1;;;.
What are the key properties of trimethyl(octyl)azanium;trihydrobromide?
trimethyl(octyl)azanium;trihydrobromide has a molecular weight of 415.07 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(octyl)azanium;trihydrobromide is sourced from PubChem (CID 173358284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).