lithium 2-[di(tricosyl)amino]pentanoate

C51H102LiNO2 — CID 101314340

IUPAClithium 2-[di(tricosyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)C(CCC)C(=O)[O-].[Li+]
InChIInChI=1S/C51H103NO2.Li/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-48-52(50(47-6-3)51(53)54)49-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h50H,4-49H2,1-3H3,(H,53,54);/q;+1/p-1
InChIKeyQJCZLXMEICAVNU-UHFFFAOYSA-M
MW768.32 g/mol
LogP13.64
Rot. Bonds48

About lithium 2-[di(tricosyl)amino]pentanoate

lithium 2-[di(tricosyl)amino]pentanoate (PubChem CID 101314340) has the molecular formula C51H102LiNO2 and a molecular weight of 768.32 g/mol. Its IUPAC name is lithium 2-[di(tricosyl)amino]pentanoate.

Molecular Properties

Compound Namelithium 2-[di(tricosyl)amino]pentanoate
PubChem CID101314340
Molecular FormulaC51H102LiNO2
Molecular Weight768.32 g/mol
Exact Mass767.81
IUPAC Namelithium 2-[di(tricosyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)C(CCC)C(=O)[O-].[Li+]
InChIInChI=1S/C51H103NO2.Li/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-48-52(50(47-6-3)51(53)54)49-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h50H,4-49H2,1-3H3,(H,53,54);/q;+1/p-1
InChIKeyQJCZLXMEICAVNU-UHFFFAOYSA-M
XLogP13.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.32
LogP ≤ 513.64
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

potassium 2-(dioctadecylamino)pentanoate
CID 101314241
calcium bis(2-(dioctadecylamino)pentanoate)
CID 101314243
sodium 2-[di(icosyl)amino]pentanoate
CID 101314282
calcium bis(2-[di(pentadecyl)amino]hexanoate)
CID 101314532
potassium 2-[di(undecyl)amino]hexanoate
CID 101314431
calcium bis(2-[di(nonadecyl)amino]hexanoate)
CID 101314632
potassium 2-(didodecylamino)hexanoate
CID 101314456
potassium 2-[di(docosyl)amino]hexanoate
CID 101314705
sodium 2-[di(docosyl)amino]hexanoate
CID 101314706
sodium 2-(didecylamino)heptanoate
CID 101314811
sodium 2-[di(tetradecyl)amino]hexanoate
CID 101314506
lithium 2-(dihexadecylamino)butanoate
CID 101313925

Frequently Asked Questions

What is the IUPAC name of lithium 2-[di(tricosyl)amino]pentanoate?
The IUPAC name of lithium 2-[di(tricosyl)amino]pentanoate (CID 101314340) is lithium 2-[di(tricosyl)amino]pentanoate.
What is the SMILES notation for lithium 2-[di(tricosyl)amino]pentanoate?
The canonical SMILES for lithium 2-[di(tricosyl)amino]pentanoate is CCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)C(CCC)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-[di(tricosyl)amino]pentanoate?
The InChIKey is QJCZLXMEICAVNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C51H103NO2.Li/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-48-52(50(47-6-3)51(53)54)49-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h50H,4-49H2,1-3H3,(H,53,54);/q;+1/p-1.
What are the key properties of lithium 2-[di(tricosyl)amino]pentanoate?
lithium 2-[di(tricosyl)amino]pentanoate has a molecular weight of 768.32 g/mol, XLogP of 13.64, 48 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[di(tricosyl)amino]pentanoate is sourced from PubChem (CID 101314340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).