sodium 4-(didecylamino)hexanoate

C26H52NNaO2 — CID 101314417

IUPACsodium 4-(didecylamino)hexanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CC)CCC(=O)[O-].[Na+]
InChIInChI=1S/C26H53NO2.Na/c1-4-7-9-11-13-15-17-19-23-27(25(6-3)21-22-26(28)29)24-20-18-16-14-12-10-8-5-2;/h25H,4-24H2,1-3H3,(H,28,29);/q;+1/p-1
InChIKeyFCNLVXOAGAWSHD-UHFFFAOYSA-M
MW433.70 g/mol
LogP3.88
Rot. Bonds23

About sodium 4-(didecylamino)hexanoate

sodium 4-(didecylamino)hexanoate (PubChem CID 101314417) has the molecular formula C26H52NNaO2 and a molecular weight of 433.70 g/mol. Its IUPAC name is sodium 4-(didecylamino)hexanoate.

Molecular Properties

Compound Namesodium 4-(didecylamino)hexanoate
PubChem CID101314417
Molecular FormulaC26H52NNaO2
Molecular Weight433.70 g/mol
Exact Mass433.39
IUPAC Namesodium 4-(didecylamino)hexanoate
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CC)CCC(=O)[O-].[Na+]
InChIInChI=1S/C26H53NO2.Na/c1-4-7-9-11-13-15-17-19-23-27(25(6-3)21-22-26(28)29)24-20-18-16-14-12-10-8-5-2;/h25H,4-24H2,1-3H3,(H,28,29);/q;+1/p-1
InChIKeyFCNLVXOAGAWSHD-UHFFFAOYSA-M
XLogP3.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.70
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

sodium 4-(dioctylamino)hexanoate
CID 101313492
calcium bis(4-[di(tricosyl)amino]hexanoate)
CID 101314742
lithium 4-[di(tridecyl)amino]hexanoate
CID 101314489
potassium 4-[di(tetracosyl)amino]hexanoate
CID 101314765
calcium bis(4-[di(tetradecyl)amino]hexanoate)
CID 101314517
sodium 4-[di(nonyl)amino]heptanoate
CID 101314791
lithium 4-[di(nonyl)amino]heptanoate
CID 101314789
sodium 3-(didecylamino)pentanoate
CID 101314087
sodium 3-[di(heptadecyl)amino]pentanoate
CID 101314227
sodium 6-(dioctylamino)nonanoate
CID 101313592
potassium 3-[di(icosyl)amino]pentanoate
CID 101314286
calcium bis(4-(didodecylamino)pentanoate)
CID 101314133

Frequently Asked Questions

What is the IUPAC name of sodium 4-(didecylamino)hexanoate?
The IUPAC name of sodium 4-(didecylamino)hexanoate (CID 101314417) is sodium 4-(didecylamino)hexanoate.
What is the SMILES notation for sodium 4-(didecylamino)hexanoate?
The canonical SMILES for sodium 4-(didecylamino)hexanoate is CCCCCCCCCCN(CCCCCCCCCC)C(CC)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium 4-(didecylamino)hexanoate?
The InChIKey is FCNLVXOAGAWSHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H53NO2.Na/c1-4-7-9-11-13-15-17-19-23-27(25(6-3)21-22-26(28)29)24-20-18-16-14-12-10-8-5-2;/h25H,4-24H2,1-3H3,(H,28,29);/q;+1/p-1.
What are the key properties of sodium 4-(didecylamino)hexanoate?
sodium 4-(didecylamino)hexanoate has a molecular weight of 433.70 g/mol, XLogP of 3.88, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(didecylamino)hexanoate is sourced from PubChem (CID 101314417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).