bis(propylaminomethyl)phosphinic acid

C8H21N2O2P — CID 2055276

IUPACbis(propylaminomethyl)phosphinic acid
SMILESCCCNCP(=O)(O)CNCCC
InChIInChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyLVSDZROQEUIMPO-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.17
Rot. Bonds8

About bis(propylaminomethyl)phosphinic acid

bis(propylaminomethyl)phosphinic acid (PubChem CID 2055276) has the molecular formula C8H21N2O2P and a molecular weight of 208.24 g/mol. Its IUPAC name is bis(propylaminomethyl)phosphinic acid.

Molecular Properties

Compound Namebis(propylaminomethyl)phosphinic acid
PubChem CID2055276
Molecular FormulaC8H21N2O2P
Molecular Weight208.24 g/mol
Exact Mass208.13
IUPAC Namebis(propylaminomethyl)phosphinic acid
SMILESCCCNCP(=O)(O)CNCCC
InChIInChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyLVSDZROQEUIMPO-UHFFFAOYSA-N
XLogP1.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(propylaminomethyl)phosphinic acid?
The IUPAC name of bis(propylaminomethyl)phosphinic acid (CID 2055276) is bis(propylaminomethyl)phosphinic acid.
What is the SMILES notation for bis(propylaminomethyl)phosphinic acid?
The canonical SMILES for bis(propylaminomethyl)phosphinic acid is CCCNCP(=O)(O)CNCCC.
What is the InChIKey of bis(propylaminomethyl)phosphinic acid?
The InChIKey is LVSDZROQEUIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O2P/c1-3-5-9-7-13(11,12)8-10-6-4-2/h9-10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of bis(propylaminomethyl)phosphinic acid?
bis(propylaminomethyl)phosphinic acid has a molecular weight of 208.24 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propylaminomethyl)phosphinic acid is sourced from PubChem (CID 2055276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).