ethenylphosphonic acid;bis(N-ethylethanamine)

C10H27N2O3P — CID 174668506

IUPACethenylphosphonic acid;bis(N-ethylethanamine)
SMILESC=CP(=O)(O)O.CCNCC.CCNCC
InChIInChI=1S/2C4H11N.C2H5O3P/c2*1-3-5-4-2;1-2-6(3,4)5/h2*5H,3-4H2,1-2H3;2H,1H2,(H2,3,4,5)
InChIKeyMXXLHNCCOMFWOE-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.54
Rot. Bonds5

About ethenylphosphonic acid;bis(N-ethylethanamine)

ethenylphosphonic acid;bis(N-ethylethanamine) (PubChem CID 174668506) has the molecular formula C10H27N2O3P and a molecular weight of 254.31 g/mol. Its IUPAC name is ethenylphosphonic acid;bis(N-ethylethanamine).

Molecular Properties

Compound Nameethenylphosphonic acid;bis(N-ethylethanamine)
PubChem CID174668506
Molecular FormulaC10H27N2O3P
Molecular Weight254.31 g/mol
Exact Mass254.18
IUPAC Nameethenylphosphonic acid;bis(N-ethylethanamine)
SMILESC=CP(=O)(O)O.CCNCC.CCNCC
InChIInChI=1S/2C4H11N.C2H5O3P/c2*1-3-5-4-2;1-2-6(3,4)5/h2*5H,3-4H2,1-2H3;2H,1H2,(H2,3,4,5)
InChIKeyMXXLHNCCOMFWOE-UHFFFAOYSA-N
XLogP1.54
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-ethylethanamine;hydride;phosphoric acid
CID 175590291
N-ethylethanamine;ethylphosphonic acid
CID 174663902
ethenylphosphonic acid;propane-1,3-diol
CID 159146855
[bromo(phosphono)methyl]phosphonic acid;N-ethylethanamine
CID 172830708
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
2-(ethylamino)ethylphosphonic acid
CID 12557409
ethenyl(methoxy)phosphinic acid;ethenylphosphonic acid
CID 158810817
ethenylphosphonic acid;oxirane
CID 174918550
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
N-ethylethanamine;oxoiron
CID 175322821

Frequently Asked Questions

What is the IUPAC name of ethenylphosphonic acid;bis(N-ethylethanamine)?
The IUPAC name of ethenylphosphonic acid;bis(N-ethylethanamine) (CID 174668506) is ethenylphosphonic acid;bis(N-ethylethanamine).
What is the SMILES notation for ethenylphosphonic acid;bis(N-ethylethanamine)?
The canonical SMILES for ethenylphosphonic acid;bis(N-ethylethanamine) is C=CP(=O)(O)O.CCNCC.CCNCC.
What is the InChIKey of ethenylphosphonic acid;bis(N-ethylethanamine)?
The InChIKey is MXXLHNCCOMFWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N.C2H5O3P/c2*1-3-5-4-2;1-2-6(3,4)5/h2*5H,3-4H2,1-2H3;2H,1H2,(H2,3,4,5).
What are the key properties of ethenylphosphonic acid;bis(N-ethylethanamine)?
ethenylphosphonic acid;bis(N-ethylethanamine) has a molecular weight of 254.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylphosphonic acid;bis(N-ethylethanamine) is sourced from PubChem (CID 174668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).