potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate

C26H48KNO2 — CID 101275622

IUPACpotassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
SMILESCCC/C=C/CCCC(CC)CN(CC(=O)[O-])CC(CC)CCC/C=C/CCC.[K+]
InChIInChI=1S/C26H49NO2.K/c1-5-9-11-13-15-17-19-24(7-3)21-27(23-26(28)29)22-25(8-4)20-18-16-14-12-10-6-2;/h11-14,24-25H,5-10,15-23H2,1-4H3,(H,28,29);/q;+1/p-1/b13-11+,14-12+;
InChIKeyJYMZNNPEHXOKFO-JZOPPWQGSA-M
MW445.77 g/mol
LogP3.15
Rot. Bonds20

About potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate

potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate (PubChem CID 101275622) has the molecular formula C26H48KNO2 and a molecular weight of 445.77 g/mol. Its IUPAC name is potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate.

Molecular Properties

Compound Namepotassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
PubChem CID101275622
Molecular FormulaC26H48KNO2
Molecular Weight445.77 g/mol
Exact Mass445.33
IUPAC Namepotassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
SMILESCCC/C=C/CCCC(CC)CN(CC(=O)[O-])CC(CC)CCC/C=C/CCC.[K+]
InChIInChI=1S/C26H49NO2.K/c1-5-9-11-13-15-17-19-24(7-3)21-27(23-26(28)29)22-25(8-4)20-18-16-14-12-10-6-2;/h11-14,24-25H,5-10,15-23H2,1-4H3,(H,28,29);/q;+1/p-1/b13-11+,14-12+;
InChIKeyJYMZNNPEHXOKFO-JZOPPWQGSA-M
XLogP3.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-[bis[(E)-2-ethyldec-5-enyl]amino]acetate
CID 101275621
lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate
CID 101275548
sodium 2-[bis[(E)-oct-4-enyl]amino]acetate
CID 101313363
sodium 2-[bis[(E)-dodec-8-enyl]amino]acetate
CID 101275710
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
sodium 2-[bis[(E)-undec-5-enyl]amino]acetate
CID 101275676
lithium 2-[bis[(E)-undec-4-enyl]amino]acetate
CID 101275531
disodium;2-[carboxylatomethyl(octadec-9-enyl)amino]acetate
CID 71430810
lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate
CID 101275528
sodium 2-[carboxymethyl-[(E)-oct-3-enyl]amino]acetate
CID 101285023
11-ethyltetradec-4-ene
CID 123216279
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992

Frequently Asked Questions

What is the IUPAC name of potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate?
The IUPAC name of potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate (CID 101275622) is potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate.
What is the SMILES notation for potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate?
The canonical SMILES for potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate is CCC/C=C/CCCC(CC)CN(CC(=O)[O-])CC(CC)CCC/C=C/CCC.[K+].
What is the InChIKey of potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate?
The InChIKey is JYMZNNPEHXOKFO-JZOPPWQGSA-M. The full InChI is InChI=1S/C26H49NO2.K/c1-5-9-11-13-15-17-19-24(7-3)21-27(23-26(28)29)22-25(8-4)20-18-16-14-12-10-6-2;/h11-14,24-25H,5-10,15-23H2,1-4H3,(H,28,29);/q;+1/p-1/b13-11+,14-12+;.
What are the key properties of potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate?
potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate has a molecular weight of 445.77 g/mol, XLogP of 3.15, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate is sourced from PubChem (CID 101275622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).