dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)

C12H24N2O3P+ — CID 175561825

IUPACdihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)
SMILESC=CCNCC=C.C=CCNCC=C.O=[P+](O)O
InChIInChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H-,1,2,3)/p+1
InChIKeyZEXLBZQZMBCGBJ-UHFFFAOYSA-O
MW275.31 g/mol
LogP1.52
Rot. Bonds8

About dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)

dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine) (PubChem CID 175561825) has the molecular formula C12H24N2O3P+ and a molecular weight of 275.31 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)
PubChem CID175561825
Molecular FormulaC12H24N2O3P+
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Namedihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)
SMILESC=CCNCC=C.C=CCNCC=C.O=[P+](O)O
InChIInChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H-,1,2,3)/p+1
InChIKeyZEXLBZQZMBCGBJ-UHFFFAOYSA-O
XLogP1.52
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine) (CID 175561825) is dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine).
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine) is C=CCNCC=C.C=CCNCC=C.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)?
The InChIKey is ZEXLBZQZMBCGBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H11N.HO3P/c2*1-3-5-7-6-4-2;1-4(2)3/h2*3-4,7H,1-2,5-6H2;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine)?
dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine) has a molecular weight of 275.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(N-prop-2-enylprop-2-en-1-amine) is sourced from PubChem (CID 175561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).