trimethyl(octyl)azanium chloride

C11H26ClN — CID 24949

IUPACtrimethyl(octyl)azanium chloride
SMILESCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyAQZSPJRLCJSOED-UHFFFAOYSA-M
MW207.79 g/mol
LogP0.06
Rot. Bonds7

About trimethyl(octyl)azanium chloride

trimethyl(octyl)azanium chloride (PubChem CID 24949) has the molecular formula C11H26ClN and a molecular weight of 207.79 g/mol. Its IUPAC name is trimethyl(octyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(octyl)azanium chloride
PubChem CID24949
Molecular FormulaC11H26ClN
Molecular Weight207.79 g/mol
Exact Mass207.18
IUPAC Nametrimethyl(octyl)azanium chloride
SMILESCCCCCCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyAQZSPJRLCJSOED-UHFFFAOYSA-M
XLogP0.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.79
LogP ≤ 50.06
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;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
hexadecyl(trimethyl)azanium;chloride;hydrate
CID 87398885

Frequently Asked Questions

What is the IUPAC name of trimethyl(octyl)azanium chloride?
The IUPAC name of trimethyl(octyl)azanium chloride (CID 24949) is trimethyl(octyl)azanium chloride.
What is the SMILES notation for trimethyl(octyl)azanium chloride?
The canonical SMILES for trimethyl(octyl)azanium chloride is CCCCCCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(octyl)azanium chloride?
The InChIKey is AQZSPJRLCJSOED-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(octyl)azanium chloride?
trimethyl(octyl)azanium chloride has a molecular weight of 207.79 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(octyl)azanium chloride is sourced from PubChem (CID 24949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).