potassium 2-(didodecylamino)hexanoate

C30H60KNO2 — CID 101314456

IUPACpotassium 2-(didodecylamino)hexanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+]
InChIInChI=1S/C30H61NO2.K/c1-4-7-10-12-14-16-18-20-22-24-27-31(29(30(32)33)26-9-6-3)28-25-23-21-19-17-15-13-11-8-5-2;/h29H,4-28H2,1-3H3,(H,32,33);/q;+1/p-1
InChIKeyQFFRWAYPYBUFII-UHFFFAOYSA-M
MW505.91 g/mol
LogP5.44
Rot. Bonds27

About potassium 2-(didodecylamino)hexanoate

potassium 2-(didodecylamino)hexanoate (PubChem CID 101314456) has the molecular formula C30H60KNO2 and a molecular weight of 505.91 g/mol. Its IUPAC name is potassium 2-(didodecylamino)hexanoate.

Molecular Properties

Compound Namepotassium 2-(didodecylamino)hexanoate
PubChem CID101314456
Molecular FormulaC30H60KNO2
Molecular Weight505.91 g/mol
Exact Mass505.43
IUPAC Namepotassium 2-(didodecylamino)hexanoate
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+]
InChIInChI=1S/C30H61NO2.K/c1-4-7-10-12-14-16-18-20-22-24-27-31(29(30(32)33)26-9-6-3)28-25-23-21-19-17-15-13-11-8-5-2;/h29H,4-28H2,1-3H3,(H,32,33);/q;+1/p-1
InChIKeyQFFRWAYPYBUFII-UHFFFAOYSA-M
XLogP5.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 55.44
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-[di(undecyl)amino]hexanoate
CID 101314431
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-(didodecylamino)hexanoate?
The IUPAC name of potassium 2-(didodecylamino)hexanoate (CID 101314456) is potassium 2-(didodecylamino)hexanoate.
What is the SMILES notation for potassium 2-(didodecylamino)hexanoate?
The canonical SMILES for potassium 2-(didodecylamino)hexanoate is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CCCC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-(didodecylamino)hexanoate?
The InChIKey is QFFRWAYPYBUFII-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H61NO2.K/c1-4-7-10-12-14-16-18-20-22-24-27-31(29(30(32)33)26-9-6-3)28-25-23-21-19-17-15-13-11-8-5-2;/h29H,4-28H2,1-3H3,(H,32,33);/q;+1/p-1.
What are the key properties of potassium 2-(didodecylamino)hexanoate?
potassium 2-(didodecylamino)hexanoate has a molecular weight of 505.91 g/mol, XLogP of 5.44, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(didodecylamino)hexanoate is sourced from PubChem (CID 101314456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).