lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate

C24H44LiNO2 — CID 101275528

IUPAClithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate
SMILESC/C=C/CCCCCC(C)CN(CC(=O)[O-])CC(C)CCCCC/C=C/C.[Li+]
InChIInChI=1S/C24H45NO2.Li/c1-5-7-9-11-13-15-17-22(3)19-25(21-24(26)27)20-23(4)18-16-14-12-10-8-6-2;/h5-8,22-23H,9-21H2,1-4H3,(H,26,27);/q;+1/p-1/b7-5+,8-6+;
InChIKeyWBDZJWPQXKQXIT-PUFOULASSA-M
MW385.56 g/mol
LogP2.37
Rot. Bonds18

About lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate

lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate (PubChem CID 101275528) has the molecular formula C24H44LiNO2 and a molecular weight of 385.56 g/mol. Its IUPAC name is lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate.

Molecular Properties

Compound Namelithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate
PubChem CID101275528
Molecular FormulaC24H44LiNO2
Molecular Weight385.56 g/mol
Exact Mass385.35
IUPAC Namelithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate
SMILESC/C=C/CCCCCC(C)CN(CC(=O)[O-])CC(C)CCCCC/C=C/C.[Li+]
InChIInChI=1S/C24H45NO2.Li/c1-5-7-9-11-13-15-17-22(3)19-25(21-24(26)27)20-23(4)18-16-14-12-10-8-6-2;/h5-8,22-23H,9-21H2,1-4H3,(H,26,27);/q;+1/p-1/b7-5+,8-6+;
InChIKeyWBDZJWPQXKQXIT-PUFOULASSA-M
XLogP2.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.37
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)-3-methylundec-9-enyl]amino]acetate
CID 101275632
2-methyldec-8-en-1-ol
CID 151918594
(E)-11-methyldodec-2-ene
CID 134687647
(E)-19-methyltricos-2-ene
CID 173194552
lithium 2-[bis[(E)-undec-4-enyl]amino]acetate
CID 101275531
lithium 2-[bis[(E)-2-ethyldec-4-enyl]amino]acetate
CID 101275548
(E)-2-methylnon-7-enoic acid
CID 146276957
8-methyltridec-2-ene
CID 154258032
2-methylnon-7-enamide
CID 142782091
potassium 2-[bis[(E)-2-ethyldec-5-enyl]amino]acetate
CID 101275621
potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
CID 101275622
(E)-non-7-en-2-ol
CID 14615052

Frequently Asked Questions

What is the IUPAC name of lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate?
The IUPAC name of lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate (CID 101275528) is lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate.
What is the SMILES notation for lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate?
The canonical SMILES for lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate is C/C=C/CCCCCC(C)CN(CC(=O)[O-])CC(C)CCCCC/C=C/C.[Li+].
What is the InChIKey of lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate?
The InChIKey is WBDZJWPQXKQXIT-PUFOULASSA-M. The full InChI is InChI=1S/C24H45NO2.Li/c1-5-7-9-11-13-15-17-22(3)19-25(21-24(26)27)20-23(4)18-16-14-12-10-8-6-2;/h5-8,22-23H,9-21H2,1-4H3,(H,26,27);/q;+1/p-1/b7-5+,8-6+;.
What are the key properties of lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate?
lithium 2-[bis[(E)-2-methyldec-8-enyl]amino]acetate has a molecular weight of 385.56 g/mol, XLogP of 2.37, 18 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-methyldec-8-enyl]amino]acetate is sourced from PubChem (CID 101275528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).