bis(dibutylamino)phosphinic acid

C16H37N2O2P — CID 149434212

IUPACbis(dibutylamino)phosphinic acid
SMILESCCCCN(CCCC)P(=O)(O)N(CCCC)CCCC
InChIInChI=1S/C16H37N2O2P/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3,(H,19,20)
InChIKeyBGBANTKAWPEOJB-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.89
Rot. Bonds14

About bis(dibutylamino)phosphinic acid

bis(dibutylamino)phosphinic acid (PubChem CID 149434212) has the molecular formula C16H37N2O2P and a molecular weight of 320.46 g/mol. Its IUPAC name is bis(dibutylamino)phosphinic acid.

Molecular Properties

Compound Namebis(dibutylamino)phosphinic acid
PubChem CID149434212
Molecular FormulaC16H37N2O2P
Molecular Weight320.46 g/mol
Exact Mass320.26
IUPAC Namebis(dibutylamino)phosphinic acid
SMILESCCCCN(CCCC)P(=O)(O)N(CCCC)CCCC
InChIInChI=1S/C16H37N2O2P/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3,(H,19,20)
InChIKeyBGBANTKAWPEOJB-UHFFFAOYSA-N
XLogP4.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(N-butyl-N-fluorobutan-1-amine);phosphoric acid
CID 175403911
nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
butoxy-N,N-dibutylphosphonamidic acid
CID 18676696
N,N-dibutylbutan-1-amine;difluorophosphinic acid
CID 130422664
(dibutylamino) dihydrogen phosphate
CID 22117086
(2,2-dibutylhydrazinyl)phosphonic acid
CID 174760569
dodecane;phosphoric acid
CID 88801558
N-bis(dibutylamino)phosphinimyl-N-butylbutan-1-amine
CID 12824540
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide
CID 174790998
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
methane;pentadecane;phosphoric acid;hydrate
CID 173085689

Frequently Asked Questions

What is the IUPAC name of bis(dibutylamino)phosphinic acid?
The IUPAC name of bis(dibutylamino)phosphinic acid (CID 149434212) is bis(dibutylamino)phosphinic acid.
What is the SMILES notation for bis(dibutylamino)phosphinic acid?
The canonical SMILES for bis(dibutylamino)phosphinic acid is CCCCN(CCCC)P(=O)(O)N(CCCC)CCCC.
What is the InChIKey of bis(dibutylamino)phosphinic acid?
The InChIKey is BGBANTKAWPEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N2O2P/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3,(H,19,20).
What are the key properties of bis(dibutylamino)phosphinic acid?
bis(dibutylamino)phosphinic acid has a molecular weight of 320.46 g/mol, XLogP of 4.89, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylamino)phosphinic acid is sourced from PubChem (CID 149434212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).