di(dodecanoyl)-dimethylazanium

C26H52NO2+ — CID 46207720

IUPACdi(dodecanoyl)-dimethylazanium
SMILESCCCCCCCCCCCC(=O)[N+](C)(C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C26H52NO2/c1-5-7-9-11-13-15-17-19-21-23-25(28)27(3,4)26(29)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3/q+1
InChIKeyZIOBLAQARRIHBY-UHFFFAOYSA-N
MW410.71 g/mol
LogP7.96
Rot. Bonds20

About di(dodecanoyl)-dimethylazanium

di(dodecanoyl)-dimethylazanium (PubChem CID 46207720) has the molecular formula C26H52NO2+ and a molecular weight of 410.71 g/mol. Its IUPAC name is di(dodecanoyl)-dimethylazanium.

Molecular Properties

Compound Namedi(dodecanoyl)-dimethylazanium
PubChem CID46207720
Molecular FormulaC26H52NO2+
Molecular Weight410.71 g/mol
Exact Mass410.40
IUPAC Namedi(dodecanoyl)-dimethylazanium
SMILESCCCCCCCCCCCC(=O)[N+](C)(C)C(=O)CCCCCCCCCCC
InChIInChI=1S/C26H52NO2/c1-5-7-9-11-13-15-17-19-21-23-25(28)27(3,4)26(29)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3/q+1
InChIKeyZIOBLAQARRIHBY-UHFFFAOYSA-N
XLogP7.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.71
LogP ≤ 57.96
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

ethyl-dimethyl-tetradecanoylazanium chloride
CID 142704587
ethyl-tri(octanoyl)azanium
CID 88828447
tributyl(tetradecanoyl)azanium
CID 14993044
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
azane;hexadecanoyl(tripropyl)azanium;chloride;dihydrochloride
CID 175548166
dimethyl-octadec-9-enoyl-(2-octadec-9-enoyloxyacetyl)azanium
CID 173081857
tributyl(icosanoyl)azanium bromide
CID 88521917
ethyl-dimethyl-octadecanoylazanium;sulfuric acid
CID 174382530
ethyl-di(hexadecanoyl)-methylazanium;sulfuric acid
CID 175238516
dimethyl-octadec-9-enoyl-(2-octadec-9-enoyloxyacetyl)azanium chloride
CID 173081856
CID 131879408
CID 131879408
trimethyl(pentanoyl)azanium
CID 21116715

Frequently Asked Questions

What is the IUPAC name of di(dodecanoyl)-dimethylazanium?
The IUPAC name of di(dodecanoyl)-dimethylazanium (CID 46207720) is di(dodecanoyl)-dimethylazanium.
What is the SMILES notation for di(dodecanoyl)-dimethylazanium?
The canonical SMILES for di(dodecanoyl)-dimethylazanium is CCCCCCCCCCCC(=O)[N+](C)(C)C(=O)CCCCCCCCCCC.
What is the InChIKey of di(dodecanoyl)-dimethylazanium?
The InChIKey is ZIOBLAQARRIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52NO2/c1-5-7-9-11-13-15-17-19-21-23-25(28)27(3,4)26(29)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3/q+1.
What are the key properties of di(dodecanoyl)-dimethylazanium?
di(dodecanoyl)-dimethylazanium has a molecular weight of 410.71 g/mol, XLogP of 7.96, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(dodecanoyl)-dimethylazanium is sourced from PubChem (CID 46207720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).