lithium 4-[di(nonyl)amino]pentanoate

C23H46LiNO2 — CID 101314070

IUPAClithium 4-[di(nonyl)amino]pentanoate
SMILESCCCCCCCCCN(CCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C23H47NO2.Li/c1-4-6-8-10-12-14-16-20-24(22(3)18-19-23(25)26)21-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1
InChIKeyPJPOFSGPKBEJMD-UHFFFAOYSA-M
MW375.57 g/mol
LogP2.71
Rot. Bonds20

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

lithium 4-[di(nonyl)amino]pentanoate (PubChem CID 101314070) has the molecular formula C23H46LiNO2 and a molecular weight of 375.57 g/mol. Its IUPAC name is lithium 4-[di(nonyl)amino]pentanoate.

Molecular Properties

Compound Namelithium 4-[di(nonyl)amino]pentanoate
PubChem CID101314070
Molecular FormulaC23H46LiNO2
Molecular Weight375.57 g/mol
Exact Mass375.37
IUPAC Namelithium 4-[di(nonyl)amino]pentanoate
SMILESCCCCCCCCCN(CCCCCCCCC)C(C)CCC(=O)[O-].[Li+]
InChIInChI=1S/C23H47NO2.Li/c1-4-6-8-10-12-14-16-20-24(22(3)18-19-23(25)26)21-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1
InChIKeyPJPOFSGPKBEJMD-UHFFFAOYSA-M
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.57
LogP ≤ 52.71
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 4-[di(nonadecyl)amino]pentanoate
CID 101314270
lithium 4-(didodecylamino)pentanoate
CID 101314130
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(nonyl)amino]pentanoate?
The IUPAC name of lithium 4-[di(nonyl)amino]pentanoate (CID 101314070) is lithium 4-[di(nonyl)amino]pentanoate.
What is the SMILES notation for lithium 4-[di(nonyl)amino]pentanoate?
The canonical SMILES for lithium 4-[di(nonyl)amino]pentanoate is CCCCCCCCCN(CCCCCCCCC)C(C)CCC(=O)[O-].[Li+].
What is the InChIKey of lithium 4-[di(nonyl)amino]pentanoate?
The InChIKey is PJPOFSGPKBEJMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H47NO2.Li/c1-4-6-8-10-12-14-16-20-24(22(3)18-19-23(25)26)21-17-15-13-11-9-7-5-2;/h22H,4-21H2,1-3H3,(H,25,26);/q;+1/p-1.
What are the key properties of lithium 4-[di(nonyl)amino]pentanoate?
lithium 4-[di(nonyl)amino]pentanoate has a molecular weight of 375.57 g/mol, XLogP of 2.71, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[di(nonyl)amino]pentanoate is sourced from PubChem (CID 101314070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).