diazanium bis(decanoate)

C20H46N2O4 — CID 141069575

IUPACdiazanium bis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C10H20O2.2H3N/c2*1-2-3-4-5-6-7-8-9-10(11)12;;/h2*2-9H2,1H3,(H,11,12);2*1H3
InChIKeyBWGMRCAXUVJWFJ-UHFFFAOYSA-N
MW378.60 g/mol
LogP4.51
Rot. Bonds16

About diazanium bis(decanoate)

diazanium bis(decanoate) (PubChem CID 141069575) has the molecular formula C20H46N2O4 and a molecular weight of 378.60 g/mol. Its IUPAC name is diazanium bis(decanoate).

Molecular Properties

Compound Namediazanium bis(decanoate)
PubChem CID141069575
Molecular FormulaC20H46N2O4
Molecular Weight378.60 g/mol
Exact Mass378.35
IUPAC Namediazanium bis(decanoate)
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C10H20O2.2H3N/c2*1-2-3-4-5-6-7-8-9-10(11)12;;/h2*2-9H2,1H3,(H,11,12);2*1H3
InChIKeyBWGMRCAXUVJWFJ-UHFFFAOYSA-N
XLogP4.51
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octaazanium;octakis(decanoate)
CID 20849288
azanium;heptanoate;tetrahydrate
CID 172723496
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
diazanium;ethanolate;nonanoate
CID 141132654
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
aluminum tris(dodecanoate)
CID 18764696
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554

Frequently Asked Questions

What is the IUPAC name of diazanium bis(decanoate)?
The IUPAC name of diazanium bis(decanoate) (CID 141069575) is diazanium bis(decanoate).
What is the SMILES notation for diazanium bis(decanoate)?
The canonical SMILES for diazanium bis(decanoate) is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium bis(decanoate)?
The InChIKey is BWGMRCAXUVJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2.2H3N/c2*1-2-3-4-5-6-7-8-9-10(11)12;;/h2*2-9H2,1H3,(H,11,12);2*1H3.
What are the key properties of diazanium bis(decanoate)?
diazanium bis(decanoate) has a molecular weight of 378.60 g/mol, XLogP of 4.51, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium bis(decanoate) is sourced from PubChem (CID 141069575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).