bis(11-carboxyundecyl)-dimethylazanium

C26H52NO4+ — CID 102174919

IUPACbis(11-carboxyundecyl)-dimethylazanium
SMILESC[N+](C)(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C26H51NO4/c1-27(2,23-19-15-11-7-3-5-9-13-17-21-25(28)29)24-20-16-12-8-4-6-10-14-18-22-26(30)31/h3-24H2,1-2H3,(H-,28,29,30,31)/p+1
InChIKeyYUTYWUFGLGVVCG-UHFFFAOYSA-O
MW442.71 g/mol
LogP7.03
Rot. Bonds24

About bis(11-carboxyundecyl)-dimethylazanium

bis(11-carboxyundecyl)-dimethylazanium (PubChem CID 102174919) has the molecular formula C26H52NO4+ and a molecular weight of 442.71 g/mol. Its IUPAC name is bis(11-carboxyundecyl)-dimethylazanium.

Molecular Properties

Compound Namebis(11-carboxyundecyl)-dimethylazanium
PubChem CID102174919
Molecular FormulaC26H52NO4+
Molecular Weight442.71 g/mol
Exact Mass442.39
IUPAC Namebis(11-carboxyundecyl)-dimethylazanium
SMILESC[N+](C)(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O
InChIInChI=1S/C26H51NO4/c1-27(2,23-19-15-11-7-3-5-9-13-17-21-25(28)29)24-20-16-12-8-4-6-10-14-18-22-26(30)31/h3-24H2,1-2H3,(H-,28,29,30,31)/p+1
InChIKeyYUTYWUFGLGVVCG-UHFFFAOYSA-O
XLogP7.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.71
LogP ≤ 57.03
H-Bond Donors ≤ 52
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

5-carboxypentyl-icosyl-dimethylazanium bromide
CID 88762606
3-carboxypropyl-dimethyl-octadecylazanium
CID 11596115
6-carboxyhexyl(trimethyl)azanium
CID 70691026
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
9-carboxynonyl-dimethyl-(3-prop-2-enoyloxypropyl)azanium
CID 118143748
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
heptadecanedioic acid
CID 3083765
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of bis(11-carboxyundecyl)-dimethylazanium?
The IUPAC name of bis(11-carboxyundecyl)-dimethylazanium (CID 102174919) is bis(11-carboxyundecyl)-dimethylazanium.
What is the SMILES notation for bis(11-carboxyundecyl)-dimethylazanium?
The canonical SMILES for bis(11-carboxyundecyl)-dimethylazanium is C[N+](C)(CCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O.
What is the InChIKey of bis(11-carboxyundecyl)-dimethylazanium?
The InChIKey is YUTYWUFGLGVVCG-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H51NO4/c1-27(2,23-19-15-11-7-3-5-9-13-17-21-25(28)29)24-20-16-12-8-4-6-10-14-18-22-26(30)31/h3-24H2,1-2H3,(H-,28,29,30,31)/p+1.
What are the key properties of bis(11-carboxyundecyl)-dimethylazanium?
bis(11-carboxyundecyl)-dimethylazanium has a molecular weight of 442.71 g/mol, XLogP of 7.03, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(11-carboxyundecyl)-dimethylazanium is sourced from PubChem (CID 102174919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).