trimethyl(undecyl)azanium acetate

C16H35NO2 — CID 174998472

IUPACtrimethyl(undecyl)azanium acetate
SMILESCC(=O)[O-].CCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C14H32N.C2H4O2/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-2(3)4/h5-14H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyIZDGWBJGXFTOMW-UHFFFAOYSA-M
MW273.46 g/mol
LogP2.98
Rot. Bonds10

About trimethyl(undecyl)azanium acetate

trimethyl(undecyl)azanium acetate (PubChem CID 174998472) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is trimethyl(undecyl)azanium acetate.

Molecular Properties

Compound Nametrimethyl(undecyl)azanium acetate
PubChem CID174998472
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nametrimethyl(undecyl)azanium acetate
SMILESCC(=O)[O-].CCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C14H32N.C2H4O2/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-2(3)4/h5-14H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyIZDGWBJGXFTOMW-UHFFFAOYSA-M
XLogP2.98
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
hexanoate;trimethyl(nonyl)azanium
CID 139992279
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(tetradecyl)azanium
CID 14251
propanoate;triheptyl(methyl)azanium
CID 139992270
tris(decyl(trimethyl)azanium);phosphate
CID 141403839
tris(trimethyl(undecyl)azanium);phosphate
CID 175157194
hexadecyl(trimethyl)azanium hypobromite
CID 165160338
hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262

Frequently Asked Questions

What is the IUPAC name of trimethyl(undecyl)azanium acetate?
The IUPAC name of trimethyl(undecyl)azanium acetate (CID 174998472) is trimethyl(undecyl)azanium acetate.
What is the SMILES notation for trimethyl(undecyl)azanium acetate?
The canonical SMILES for trimethyl(undecyl)azanium acetate is CC(=O)[O-].CCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(undecyl)azanium acetate?
The InChIKey is IZDGWBJGXFTOMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H32N.C2H4O2/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-2(3)4/h5-14H2,1-4H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of trimethyl(undecyl)azanium acetate?
trimethyl(undecyl)azanium acetate has a molecular weight of 273.46 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(undecyl)azanium acetate is sourced from PubChem (CID 174998472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).