azane;trimethyl(octyl)azanium;bromide

C11H29BrN2 — CID 175301747

IUPACazane;trimethyl(octyl)azanium;bromide
SMILESCCCCCCCC[N+](C)(C)C.N.[Br-]
InChIInChI=1S/C11H26N.BrH.H3N/c1-5-6-7-8-9-10-11-12(2,3)4;;/h5-11H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeySDBMCBUHDJBKQQ-UHFFFAOYSA-M
MW269.27 g/mol
LogP0.22
Rot. Bonds7

About azane;trimethyl(octyl)azanium;bromide

azane;trimethyl(octyl)azanium;bromide (PubChem CID 175301747) has the molecular formula C11H29BrN2 and a molecular weight of 269.27 g/mol. Its IUPAC name is azane;trimethyl(octyl)azanium;bromide.

Molecular Properties

Compound Nameazane;trimethyl(octyl)azanium;bromide
PubChem CID175301747
Molecular FormulaC11H29BrN2
Molecular Weight269.27 g/mol
Exact Mass268.15
IUPAC Nameazane;trimethyl(octyl)azanium;bromide
SMILESCCCCCCCC[N+](C)(C)C.N.[Br-]
InChIInChI=1S/C11H26N.BrH.H3N/c1-5-6-7-8-9-10-11-12(2,3)4;;/h5-11H2,1-4H3;1H;1H3/q+1;;/p-1
InChIKeySDBMCBUHDJBKQQ-UHFFFAOYSA-M
XLogP0.22
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;trimethyl(octyl)azanium;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;trimethyl(tetradecyl)azanium;bromide;hydrochloride
CID 174902264
trimethyl(pentacontyl)azanium bromide
CID 118223247
azane;decyl(trimethyl)azanium;hydrate
CID 174762384
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
azane;hexadecyl(trimethyl)azanium;hydroiodide
CID 174390577
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(nonatetracontyl)azanium
CID 118223275
azane;trimethyl(tetradecyl)azanium;hydrobromide;hydrochloride
CID 174798074

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl(octyl)azanium;bromide?
The IUPAC name of azane;trimethyl(octyl)azanium;bromide (CID 175301747) is azane;trimethyl(octyl)azanium;bromide.
What is the SMILES notation for azane;trimethyl(octyl)azanium;bromide?
The canonical SMILES for azane;trimethyl(octyl)azanium;bromide is CCCCCCCC[N+](C)(C)C.N.[Br-].
What is the InChIKey of azane;trimethyl(octyl)azanium;bromide?
The InChIKey is SDBMCBUHDJBKQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26N.BrH.H3N/c1-5-6-7-8-9-10-11-12(2,3)4;;/h5-11H2,1-4H3;1H;1H3/q+1;;/p-1.
What are the key properties of azane;trimethyl(octyl)azanium;bromide?
azane;trimethyl(octyl)azanium;bromide has a molecular weight of 269.27 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl(octyl)azanium;bromide is sourced from PubChem (CID 175301747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).