potassium 4-[di(undecyl)amino]butanoate

C26H52KNO2 — CID 101313863

IUPACpotassium 4-[di(undecyl)amino]butanoate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)CCCC(=O)[O-].[K+]
InChIInChI=1S/C26H53NO2.K/c1-3-5-7-9-11-13-15-17-19-23-27(25-21-22-26(28)29)24-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3,(H,28,29);/q;+1/p-1
InChIKeyBRGKPEMKWMOFTM-UHFFFAOYSA-M
MW449.81 g/mol
LogP3.88
Rot. Bonds24

About potassium 4-[di(undecyl)amino]butanoate

potassium 4-[di(undecyl)amino]butanoate (PubChem CID 101313863) has the molecular formula C26H52KNO2 and a molecular weight of 449.81 g/mol. Its IUPAC name is potassium 4-[di(undecyl)amino]butanoate.

Molecular Properties

Compound Namepotassium 4-[di(undecyl)amino]butanoate
PubChem CID101313863
Molecular FormulaC26H52KNO2
Molecular Weight449.81 g/mol
Exact Mass449.36
IUPAC Namepotassium 4-[di(undecyl)amino]butanoate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)CCCC(=O)[O-].[K+]
InChIInChI=1S/C26H53NO2.K/c1-3-5-7-9-11-13-15-17-19-23-27(25-21-22-26(28)29)24-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3,(H,28,29);/q;+1/p-1
InChIKeyBRGKPEMKWMOFTM-UHFFFAOYSA-M
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.81
LogP ≤ 53.88
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 4-(dihexadecylamino)butanoate
CID 101313936
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
sodium 4-(dioctylamino)butanoate
CID 101313458
potassium 6-[di(tricosyl)amino]hexanoate
CID 101314750
calcium bis(9-(dioctylamino)nonanoate)
CID 101313608
calcium bis(6-[di(tricosyl)amino]hexanoate)
CID 101314752
lithium 5-(dioctylamino)pentanoate
CID 101313475
calcium bis(5-[di(henicosyl)amino]pentanoate)
CID 101314318
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533
calcium bis(5-(dioctadecylamino)pentanoate)
CID 101314258
lithium 5-[di(tetradecyl)amino]pentanoate
CID 101314175
sodium 5-[di(nonyl)amino]pentanoate
CID 101314076

Frequently Asked Questions

What is the IUPAC name of potassium 4-[di(undecyl)amino]butanoate?
The IUPAC name of potassium 4-[di(undecyl)amino]butanoate (CID 101313863) is potassium 4-[di(undecyl)amino]butanoate.
What is the SMILES notation for potassium 4-[di(undecyl)amino]butanoate?
The canonical SMILES for potassium 4-[di(undecyl)amino]butanoate is CCCCCCCCCCCN(CCCCCCCCCCC)CCCC(=O)[O-].[K+].
What is the InChIKey of potassium 4-[di(undecyl)amino]butanoate?
The InChIKey is BRGKPEMKWMOFTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H53NO2.K/c1-3-5-7-9-11-13-15-17-19-23-27(25-21-22-26(28)29)24-20-18-16-14-12-10-8-6-4-2;/h3-25H2,1-2H3,(H,28,29);/q;+1/p-1.
What are the key properties of potassium 4-[di(undecyl)amino]butanoate?
potassium 4-[di(undecyl)amino]butanoate has a molecular weight of 449.81 g/mol, XLogP of 3.88, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[di(undecyl)amino]butanoate is sourced from PubChem (CID 101313863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).