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

C24H44LiNO2 — CID 101275531

IUPAClithium 2-[bis[(E)-undec-4-enyl]amino]acetate
SMILESCCCCCC/C=C/CCCN(CCC/C=C/CCCCCC)CC(=O)[O-].[Li+]
InChIInChI=1S/C24H45NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h13-16H,3-12,17-23H2,1-2H3,(H,26,27);/q;+1/p-1/b15-13+,16-14+;
InChIKeyXSONYVGIFDKEFS-ACJWTMPUSA-M
MW385.56 g/mol
LogP2.66
Rot. Bonds20

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

lithium 2-[bis[(E)-undec-4-enyl]amino]acetate (PubChem CID 101275531) has the molecular formula C24H44LiNO2 and a molecular weight of 385.56 g/mol. Its IUPAC name is lithium 2-[bis[(E)-undec-4-enyl]amino]acetate.

Molecular Properties

Compound Namelithium 2-[bis[(E)-undec-4-enyl]amino]acetate
PubChem CID101275531
Molecular FormulaC24H44LiNO2
Molecular Weight385.56 g/mol
Exact Mass385.35
IUPAC Namelithium 2-[bis[(E)-undec-4-enyl]amino]acetate
SMILESCCCCCC/C=C/CCCN(CCC/C=C/CCCCCC)CC(=O)[O-].[Li+]
InChIInChI=1S/C24H45NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h13-16H,3-12,17-23H2,1-2H3,(H,26,27);/q;+1/p-1/b15-13+,16-14+;
InChIKeyXSONYVGIFDKEFS-ACJWTMPUSA-M
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.66
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

sodium 2-[bis[(E)-undec-5-enyl]amino]acetate
CID 101275676
disodium;2-[carboxylatomethyl(octadec-9-enyl)amino]acetate
CID 71430810
sodium 2-[bis[(E)-dodec-8-enyl]amino]acetate
CID 101275710
sodium 2-[bis[(E)-oct-4-enyl]amino]acetate
CID 101313363
lithium 2-(dioctadecylamino)acetate
CID 101313636
lithium 2-[di(tridecyl)amino]acetate
CID 101313614
lithium 2-[di(tetradecyl)amino]acetate
CID 101313618
sodium 2-[carboxymethyl-[(Z)-octadec-9-enyl]amino]acetate
CID 141011992
potassium 2-[di(tridecyl)amino]acetate
CID 101313616
2-[carboxylatomethyl(hexadecyl)amino]acetate
CID 59297428
disodium bis(2-[dodecyl(propyl)amino]acetate)
CID 173116471
lithium (Z)-octadec-9-enoate
CID 23673654

Frequently Asked Questions

What is the IUPAC name of lithium 2-[bis[(E)-undec-4-enyl]amino]acetate?
The IUPAC name of lithium 2-[bis[(E)-undec-4-enyl]amino]acetate (CID 101275531) is lithium 2-[bis[(E)-undec-4-enyl]amino]acetate.
What is the SMILES notation for lithium 2-[bis[(E)-undec-4-enyl]amino]acetate?
The canonical SMILES for lithium 2-[bis[(E)-undec-4-enyl]amino]acetate is CCCCCC/C=C/CCCN(CCC/C=C/CCCCCC)CC(=O)[O-].[Li+].
What is the InChIKey of lithium 2-[bis[(E)-undec-4-enyl]amino]acetate?
The InChIKey is XSONYVGIFDKEFS-ACJWTMPUSA-M. The full InChI is InChI=1S/C24H45NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-25(23-24(26)27)22-20-18-16-14-12-10-8-6-4-2;/h13-16H,3-12,17-23H2,1-2H3,(H,26,27);/q;+1/p-1/b15-13+,16-14+;.
What are the key properties of lithium 2-[bis[(E)-undec-4-enyl]amino]acetate?
lithium 2-[bis[(E)-undec-4-enyl]amino]acetate has a molecular weight of 385.56 g/mol, XLogP of 2.66, 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)-undec-4-enyl]amino]acetate is sourced from PubChem (CID 101275531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).