lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate

C26H48LiNO2 — CID 101275548

IUPAClithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate
SMILESCCCCC/C=C/CC(CC)CN(CC(=O)[O-])CC(CC)C/C=C/CCCCC.[Li+]
InChIInChI=1S/C26H49NO2.Li/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;/h15-18,24-25H,5-14,19-23H2,1-4H3,(H,28,29);/q;+1/p-1/b17-15+,18-16+;
InChIKeyJDDBOIGOKPFOTB-UZQGXGHZSA-M
MW413.62 g/mol
LogP3.15
Rot. Bonds20

About lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate

lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate (PubChem CID 101275548) has the molecular formula C26H48LiNO2 and a molecular weight of 413.62 g/mol. Its IUPAC name is lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate.

Molecular Properties

Compound Namelithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate
PubChem CID101275548
Molecular FormulaC26H48LiNO2
Molecular Weight413.62 g/mol
Exact Mass413.38
IUPAC Namelithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate
SMILESCCCCC/C=C/CC(CC)CN(CC(=O)[O-])CC(CC)C/C=C/CCCCC.[Li+]
InChIInChI=1S/C26H49NO2.Li/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;/h15-18,24-25H,5-14,19-23H2,1-4H3,(H,28,29);/q;+1/p-1/b17-15+,18-16+;
InChIKeyJDDBOIGOKPFOTB-UZQGXGHZSA-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 ≤ 500413.62
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
potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
CID 101275622
lithium 2-[bis[(E)-undec-4-enyl]amino]acetate
CID 101275531
sodium 2-[bis[(E)-undec-5-enyl]amino]acetate
CID 101275676
sodium 2-[bis[(E)-dec-4-en-2-yl]amino]acetate
CID 101275644
disodium;2-[carboxylatomethyl(octadec-9-enyl)amino]acetate
CID 71430810
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992
sodium 2-[bis[(E)-dodec-8-enyl]amino]acetate
CID 101275710
lithium (Z)-octadec-9-enoate
CID 23673654
sodium 2-[bis[(E)-oct-4-enyl]amino]acetate
CID 101313363
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
dipotassium;2-oct-2-enylbutanedioate
CID 138395843

Frequently Asked Questions

What is the IUPAC name of lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate?
The IUPAC name of lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate (CID 101275548) is lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate.
What is the SMILES notation for lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate?
The canonical SMILES for lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate is CCCCC/C=C/CC(CC)CN(CC(=O)[O-])CC(CC)C/C=C/CCCCC.[Li+].
What is the InChIKey of lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate?
The InChIKey is JDDBOIGOKPFOTB-UZQGXGHZSA-M. The full InChI is InChI=1S/C26H49NO2.Li/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;/h15-18,24-25H,5-14,19-23H2,1-4H3,(H,28,29);/q;+1/p-1/b17-15+,18-16+;.
What are the key properties of lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate?
lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate has a molecular weight of 413.62 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 lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate is sourced from PubChem (CID 101275548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).