potassium 2-[di(undecyl)amino]hexanoate

C28H56KNO2 — CID 101314431

IUPACpotassium 2-[di(undecyl)amino]hexanoate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+]
InChIInChI=1S/C28H57NO2.K/c1-4-7-10-12-14-16-18-20-22-25-29(27(28(30)31)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2;/h27H,4-26H2,1-3H3,(H,30,31);/q;+1/p-1
InChIKeyQVPNXROVJKLNQU-UHFFFAOYSA-M
MW477.86 g/mol
LogP4.66
Rot. Bonds25

About potassium 2-[di(undecyl)amino]hexanoate

potassium 2-[di(undecyl)amino]hexanoate (PubChem CID 101314431) has the molecular formula C28H56KNO2 and a molecular weight of 477.86 g/mol. Its IUPAC name is potassium 2-[di(undecyl)amino]hexanoate.

Molecular Properties

Compound Namepotassium 2-[di(undecyl)amino]hexanoate
PubChem CID101314431
Molecular FormulaC28H56KNO2
Molecular Weight477.86 g/mol
Exact Mass477.39
IUPAC Namepotassium 2-[di(undecyl)amino]hexanoate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+]
InChIInChI=1S/C28H57NO2.K/c1-4-7-10-12-14-16-18-20-22-25-29(27(28(30)31)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2;/h27H,4-26H2,1-3H3,(H,30,31);/q;+1/p-1
InChIKeyQVPNXROVJKLNQU-UHFFFAOYSA-M
XLogP4.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.86
LogP ≤ 54.66
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-(didodecylamino)hexanoate
CID 101314456
potassium 2-[di(docosyl)amino]hexanoate
CID 101314705
calcium bis(2-[di(pentadecyl)amino]hexanoate)
CID 101314532
calcium bis(2-[di(nonadecyl)amino]hexanoate)
CID 101314632
sodium 2-[di(docosyl)amino]hexanoate
CID 101314706
sodium 2-[di(tetradecyl)amino]hexanoate
CID 101314506
sodium 2-(didecylamino)heptanoate
CID 101314811
potassium 2-(dioctadecylamino)pentanoate
CID 101314241
calcium bis(2-(dioctadecylamino)pentanoate)
CID 101314243
lithium 2-[di(tricosyl)amino]pentanoate
CID 101314340
sodium 2-[di(icosyl)amino]pentanoate
CID 101314282
lithium 2-(dihexadecylamino)butanoate
CID 101313925

Frequently Asked Questions

What is the IUPAC name of potassium 2-[di(undecyl)amino]hexanoate?
The IUPAC name of potassium 2-[di(undecyl)amino]hexanoate (CID 101314431) is potassium 2-[di(undecyl)amino]hexanoate.
What is the SMILES notation for potassium 2-[di(undecyl)amino]hexanoate?
The canonical SMILES for potassium 2-[di(undecyl)amino]hexanoate is CCCCCCCCCCCN(CCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[di(undecyl)amino]hexanoate?
The InChIKey is QVPNXROVJKLNQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H57NO2.K/c1-4-7-10-12-14-16-18-20-22-25-29(27(28(30)31)24-9-6-3)26-23-21-19-17-15-13-11-8-5-2;/h27H,4-26H2,1-3H3,(H,30,31);/q;+1/p-1.
What are the key properties of potassium 2-[di(undecyl)amino]hexanoate?
potassium 2-[di(undecyl)amino]hexanoate has a molecular weight of 477.86 g/mol, XLogP of 4.66, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[di(undecyl)amino]hexanoate is sourced from PubChem (CID 101314431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).