bis(propylamino)phosphinic acid

C6H17N2O2P — CID 59603177

IUPACbis(propylamino)phosphinic acid
SMILESCCCNP(=O)(O)NCCC
InChIInChI=1S/C6H17N2O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-6H2,1-2H3,(H3,7,8,9,10)
InChIKeyZXKCNKSCNRVBHD-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.09
Rot. Bonds6

About bis(propylamino)phosphinic acid

bis(propylamino)phosphinic acid (PubChem CID 59603177) has the molecular formula C6H17N2O2P and a molecular weight of 180.19 g/mol. Its IUPAC name is bis(propylamino)phosphinic acid.

Molecular Properties

Compound Namebis(propylamino)phosphinic acid
PubChem CID59603177
Molecular FormulaC6H17N2O2P
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Namebis(propylamino)phosphinic acid
SMILESCCCNP(=O)(O)NCCC
InChIInChI=1S/C6H17N2O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-6H2,1-2H3,(H3,7,8,9,10)
InChIKeyZXKCNKSCNRVBHD-UHFFFAOYSA-N
XLogP1.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(ethylamino)-(propylamino)phosphinic acid;yttrium
CID 58265803
butane;methane;phosphoric acid;hydrate
CID 173079168
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
methylamino-[2-(propylsulfonodiimidoyl)ethylamino]phosphinic acid
CID 163698100
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine
CID 159327936
bis(2-sulfooxyethylamino)phosphinic acid
CID 166636649
N-[butyl(ethylamino)phosphoryl]propan-1-amine
CID 123972453
[4-(dioctylamino)butylamino]phosphonic acid
CID 58601813
tris(N-butylbutan-1-amine);methanol;phosphoric acid;trihydrate
CID 173413745
N-methylpentan-1-amine;phosphoric acid
CID 175529105
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619

Frequently Asked Questions

What is the IUPAC name of bis(propylamino)phosphinic acid?
The IUPAC name of bis(propylamino)phosphinic acid (CID 59603177) is bis(propylamino)phosphinic acid.
What is the SMILES notation for bis(propylamino)phosphinic acid?
The canonical SMILES for bis(propylamino)phosphinic acid is CCCNP(=O)(O)NCCC.
What is the InChIKey of bis(propylamino)phosphinic acid?
The InChIKey is ZXKCNKSCNRVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O2P/c1-3-5-7-11(9,10)8-6-4-2/h3-6H2,1-2H3,(H3,7,8,9,10).
What are the key properties of bis(propylamino)phosphinic acid?
bis(propylamino)phosphinic acid has a molecular weight of 180.19 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propylamino)phosphinic acid is sourced from PubChem (CID 59603177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).