lithium 4-[di(nonadecyl)amino]pentanoate

C43H86LiNO2 — CID 101314270

IUPAClithium 4-[di(nonadecyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C43H87NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-44(42(3)38-39-43(45)46)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,45,46);/q;+1/p-1
InChIKeyODLITHYFTUQYQI-UHFFFAOYSA-M
MW656.11 g/mol
LogP10.51
Rot. Bonds40

About lithium 4-[di(nonadecyl)amino]pentanoate

lithium 4-[di(nonadecyl)amino]pentanoate (PubChem CID 101314270) has the molecular formula C43H86LiNO2 and a molecular weight of 656.11 g/mol. Its IUPAC name is lithium 4-[di(nonadecyl)amino]pentanoate.

Molecular Properties

Compound Namelithium 4-[di(nonadecyl)amino]pentanoate
PubChem CID101314270
Molecular FormulaC43H86LiNO2
Molecular Weight656.11 g/mol
Exact Mass655.68
IUPAC Namelithium 4-[di(nonadecyl)amino]pentanoate
SMILESCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C43H87NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-44(42(3)38-39-43(45)46)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,45,46);/q;+1/p-1
InChIKeyODLITHYFTUQYQI-UHFFFAOYSA-M
XLogP10.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.11
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze lithium 4-[di(nonadecyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 4-(didodecylamino)pentanoate
CID 101314130
lithium 4-[di(nonyl)amino]pentanoate
CID 101314070
calcium bis(4-(didodecylamino)pentanoate)
CID 101314133
sodium 5-[di(pentadecyl)amino]hexanoate
CID 101314546
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
4-[di(henicosyl)amino]pentanoic acid
CID 101314309
4-[di(nonyl)amino]pentanoic acid
CID 101314069
4-(dioctylamino)pentanoic acid
CID 101313470
4-[di(docosyl)amino]pentanoic acid
CID 101314329
potassium 4-[di(tetracosyl)amino]hexanoate
CID 101314765
sodium 4-(didecylamino)hexanoate
CID 101314417

Frequently Asked Questions

What is the IUPAC name of lithium 4-[di(nonadecyl)amino]pentanoate?
The IUPAC name of lithium 4-[di(nonadecyl)amino]pentanoate (CID 101314270) is lithium 4-[di(nonadecyl)amino]pentanoate.
What is the SMILES notation for lithium 4-[di(nonadecyl)amino]pentanoate?
The canonical SMILES for lithium 4-[di(nonadecyl)amino]pentanoate is CCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(C)CCC(=O)[O-].[Li+].
What is the InChIKey of lithium 4-[di(nonadecyl)amino]pentanoate?
The InChIKey is ODLITHYFTUQYQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C43H87NO2.Li/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-44(42(3)38-39-43(45)46)41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,45,46);/q;+1/p-1.
What are the key properties of lithium 4-[di(nonadecyl)amino]pentanoate?
lithium 4-[di(nonadecyl)amino]pentanoate has a molecular weight of 656.11 g/mol, XLogP of 10.51, 40 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[di(nonadecyl)amino]pentanoate is sourced from PubChem (CID 101314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).