potassium 4-[di(tetracosyl)amino]hexanoate

C54H108KNO2 — CID 101314765

IUPACpotassium 4-[di(tetracosyl)amino]hexanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCCC)C(CC)CCC(=O)[O-].[K+]
InChIInChI=1S/C54H109NO2.K/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-55(53(6-3)49-50-54(56)57)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h53H,4-52H2,1-3H3,(H,56,57);/q;+1/p-1
InChIKeyMYDGLEBSQJBIEU-UHFFFAOYSA-M
MW842.56 g/mol
LogP14.81
Rot. Bonds51

About potassium 4-[di(tetracosyl)amino]hexanoate

potassium 4-[di(tetracosyl)amino]hexanoate (PubChem CID 101314765) has the molecular formula C54H108KNO2 and a molecular weight of 842.56 g/mol. Its IUPAC name is potassium 4-[di(tetracosyl)amino]hexanoate.

Molecular Properties

Compound Namepotassium 4-[di(tetracosyl)amino]hexanoate
PubChem CID101314765
Molecular FormulaC54H108KNO2
Molecular Weight842.56 g/mol
Exact Mass841.80
IUPAC Namepotassium 4-[di(tetracosyl)amino]hexanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCCC)C(CC)CCC(=O)[O-].[K+]
InChIInChI=1S/C54H109NO2.K/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-55(53(6-3)49-50-54(56)57)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h53H,4-52H2,1-3H3,(H,56,57);/q;+1/p-1
InChIKeyMYDGLEBSQJBIEU-UHFFFAOYSA-M
XLogP14.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.56
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium bis(4-[di(tricosyl)amino]hexanoate)
CID 101314742
calcium bis(4-[di(tetradecyl)amino]hexanoate)
CID 101314517
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
sodium 4-(didecylamino)hexanoate
CID 101314417
sodium 4-(dioctylamino)hexanoate
CID 101313492
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
sodium 4-[di(nonyl)amino]heptanoate
CID 101314791
potassium 3-[di(icosyl)amino]pentanoate
CID 101314286
sodium 3-(didecylamino)pentanoate
CID 101314087
sodium 3-[di(heptadecyl)amino]pentanoate
CID 101314227
lithium 4-[di(nonadecyl)amino]pentanoate
CID 101314270
lithium 4-(didodecylamino)pentanoate
CID 101314130

Frequently Asked Questions

What is the IUPAC name of potassium 4-[di(tetracosyl)amino]hexanoate?
The IUPAC name of potassium 4-[di(tetracosyl)amino]hexanoate (CID 101314765) is potassium 4-[di(tetracosyl)amino]hexanoate.
What is the SMILES notation for potassium 4-[di(tetracosyl)amino]hexanoate?
The canonical SMILES for potassium 4-[di(tetracosyl)amino]hexanoate is CCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCCC)C(CC)CCC(=O)[O-].[K+].
What is the InChIKey of potassium 4-[di(tetracosyl)amino]hexanoate?
The InChIKey is MYDGLEBSQJBIEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C54H109NO2.K/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-55(53(6-3)49-50-54(56)57)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h53H,4-52H2,1-3H3,(H,56,57);/q;+1/p-1.
What are the key properties of potassium 4-[di(tetracosyl)amino]hexanoate?
potassium 4-[di(tetracosyl)amino]hexanoate has a molecular weight of 842.56 g/mol, XLogP of 14.81, 51 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[di(tetracosyl)amino]hexanoate is sourced from PubChem (CID 101314765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).