bis[2-(ethylamino)ethyl]phosphinic acid

C8H21N2O2P — CID 175647242

IUPACbis[2-(ethylamino)ethyl]phosphinic acid
SMILESCCNCCP(=O)(O)CCNCC
InChIInChI=1S/C8H21N2O2P/c1-3-9-5-7-13(11,12)8-6-10-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyHDAGZZPZLUTJNP-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.48
Rot. Bonds8

About bis[2-(ethylamino)ethyl]phosphinic acid

bis[2-(ethylamino)ethyl]phosphinic acid (PubChem CID 175647242) has the molecular formula C8H21N2O2P and a molecular weight of 208.24 g/mol. Its IUPAC name is bis[2-(ethylamino)ethyl]phosphinic acid.

Molecular Properties

Compound Namebis[2-(ethylamino)ethyl]phosphinic acid
PubChem CID175647242
Molecular FormulaC8H21N2O2P
Molecular Weight208.24 g/mol
Exact Mass208.13
IUPAC Namebis[2-(ethylamino)ethyl]phosphinic acid
SMILESCCNCCP(=O)(O)CCNCC
InChIInChI=1S/C8H21N2O2P/c1-3-9-5-7-13(11,12)8-6-10-4-2/h9-10H,3-8H2,1-2H3,(H,11,12)
InChIKeyHDAGZZPZLUTJNP-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
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[2-(ethylamino)ethyl]phosphinic acid?
The IUPAC name of bis[2-(ethylamino)ethyl]phosphinic acid (CID 175647242) is bis[2-(ethylamino)ethyl]phosphinic acid.
What is the SMILES notation for bis[2-(ethylamino)ethyl]phosphinic acid?
The canonical SMILES for bis[2-(ethylamino)ethyl]phosphinic acid is CCNCCP(=O)(O)CCNCC.
What is the InChIKey of bis[2-(ethylamino)ethyl]phosphinic acid?
The InChIKey is HDAGZZPZLUTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O2P/c1-3-9-5-7-13(11,12)8-6-10-4-2/h9-10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of bis[2-(ethylamino)ethyl]phosphinic acid?
bis[2-(ethylamino)ethyl]phosphinic acid has a molecular weight of 208.24 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(ethylamino)ethyl]phosphinic acid is sourced from PubChem (CID 175647242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).