lithium 5-[di(tetradecyl)amino]pentanoate

C33H66LiNO2 — CID 101314175

IUPAClithium 5-[di(tetradecyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCC(=O)[O-].[Li+]
InChIInChI=1S/C33H67NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-23-26-30-34(32-28-25-29-33(35)36)31-27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,35,36);/q;+1/p-1
InChIKeyQCFNPHGQOFEZQD-UHFFFAOYSA-M
MW515.84 g/mol
LogP6.61
Rot. Bonds31

About lithium 5-[di(tetradecyl)amino]pentanoate

lithium 5-[di(tetradecyl)amino]pentanoate (PubChem CID 101314175) has the molecular formula C33H66LiNO2 and a molecular weight of 515.84 g/mol. Its IUPAC name is lithium 5-[di(tetradecyl)amino]pentanoate.

Molecular Properties

Compound Namelithium 5-[di(tetradecyl)amino]pentanoate
PubChem CID101314175
Molecular FormulaC33H66LiNO2
Molecular Weight515.84 g/mol
Exact Mass515.53
IUPAC Namelithium 5-[di(tetradecyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCC(=O)[O-].[Li+]
InChIInChI=1S/C33H67NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-23-26-30-34(32-28-25-29-33(35)36)31-27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,35,36);/q;+1/p-1
InChIKeyQCFNPHGQOFEZQD-UHFFFAOYSA-M
XLogP6.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.61
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

lithium 5-(dioctylamino)pentanoate
CID 101313475
lithium 6-[di(nonadecyl)amino]hexanoate
CID 101314649
calcium bis(6-[di(tricosyl)amino]hexanoate)
CID 101314752
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
calcium bis(5-[di(henicosyl)amino]pentanoate)
CID 101314318
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533
calcium bis(5-(dioctadecylamino)pentanoate)
CID 101314258
sodium 5-[di(nonyl)amino]pentanoate
CID 101314076
calcium bis(5-[di(tetradecyl)amino]pentanoate)
CID 101314178
potassium 6-[di(tricosyl)amino]hexanoate
CID 101314750
calcium bis(9-(dioctylamino)nonanoate)
CID 101313608
potassium 4-[di(undecyl)amino]butanoate
CID 101313863

Frequently Asked Questions

What is the IUPAC name of lithium 5-[di(tetradecyl)amino]pentanoate?
The IUPAC name of lithium 5-[di(tetradecyl)amino]pentanoate (CID 101314175) is lithium 5-[di(tetradecyl)amino]pentanoate.
What is the SMILES notation for lithium 5-[di(tetradecyl)amino]pentanoate?
The canonical SMILES for lithium 5-[di(tetradecyl)amino]pentanoate is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium 5-[di(tetradecyl)amino]pentanoate?
The InChIKey is QCFNPHGQOFEZQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H67NO2.Li/c1-3-5-7-9-11-13-15-17-19-21-23-26-30-34(32-28-25-29-33(35)36)31-27-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,35,36);/q;+1/p-1.
What are the key properties of lithium 5-[di(tetradecyl)amino]pentanoate?
lithium 5-[di(tetradecyl)amino]pentanoate has a molecular weight of 515.84 g/mol, XLogP of 6.61, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[di(tetradecyl)amino]pentanoate is sourced from PubChem (CID 101314175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).