didecyl-methyl-(2-oxoethyl)azanium

C23H48NO+ — CID 23124070

IUPACdidecyl-methyl-(2-oxoethyl)azanium
SMILESCCCCCCCCCC[N+](C)(CC=O)CCCCCCCCCC
InChIInChI=1S/C23H48NO/c1-4-6-8-10-12-14-16-18-20-24(3,22-23-25)21-19-17-15-13-11-9-7-5-2/h23H,4-22H2,1-3H3/q+1
InChIKeyJJVSIXRXDRXBFX-UHFFFAOYSA-N
MW354.64 g/mol
LogP6.91
Rot. Bonds20

About didecyl-methyl-(2-oxoethyl)azanium

didecyl-methyl-(2-oxoethyl)azanium (PubChem CID 23124070) has the molecular formula C23H48NO+ and a molecular weight of 354.64 g/mol. Its IUPAC name is didecyl-methyl-(2-oxoethyl)azanium.

Molecular Properties

Compound Namedidecyl-methyl-(2-oxoethyl)azanium
PubChem CID23124070
Molecular FormulaC23H48NO+
Molecular Weight354.64 g/mol
Exact Mass354.37
IUPAC Namedidecyl-methyl-(2-oxoethyl)azanium
SMILESCCCCCCCCCC[N+](C)(CC=O)CCCCCCCCCC
InChIInChI=1S/C23H48NO/c1-4-6-8-10-12-14-16-18-20-24(3,22-23-25)21-19-17-15-13-11-9-7-5-2/h23H,4-22H2,1-3H3/q+1
InChIKeyJJVSIXRXDRXBFX-UHFFFAOYSA-N
XLogP6.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl-dimethyl-(2-oxoethyl)azanium
CID 100926367
methyl(trioctyl)azanium formate
CID 71332954
decyl-heptyl-hexyl-methylazanium
CID 87904248
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
azane;methyl-tri(tetradecyl)azanium
CID 172739350
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl(trioctyl)azanium;hydrochloride
CID 174428259

Frequently Asked Questions

What is the IUPAC name of didecyl-methyl-(2-oxoethyl)azanium?
The IUPAC name of didecyl-methyl-(2-oxoethyl)azanium (CID 23124070) is didecyl-methyl-(2-oxoethyl)azanium.
What is the SMILES notation for didecyl-methyl-(2-oxoethyl)azanium?
The canonical SMILES for didecyl-methyl-(2-oxoethyl)azanium is CCCCCCCCCC[N+](C)(CC=O)CCCCCCCCCC.
What is the InChIKey of didecyl-methyl-(2-oxoethyl)azanium?
The InChIKey is JJVSIXRXDRXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48NO/c1-4-6-8-10-12-14-16-18-20-24(3,22-23-25)21-19-17-15-13-11-9-7-5-2/h23H,4-22H2,1-3H3/q+1.
What are the key properties of didecyl-methyl-(2-oxoethyl)azanium?
didecyl-methyl-(2-oxoethyl)azanium has a molecular weight of 354.64 g/mol, XLogP of 6.91, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-methyl-(2-oxoethyl)azanium is sourced from PubChem (CID 23124070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).