cyanophosphonic acid;bis(propan-2-amine)

C7H20N3O3P — CID 15367031

IUPACcyanophosphonic acid;bis(propan-2-amine)
SMILESCC(C)N.CC(C)N.N#CP(=O)(O)O
InChIInChI=1S/2C3H9N.CH2NO3P/c2*1-3(2)4;2-1-6(3,4)5/h2*3H,4H2,1-2H3;(H2,3,4,5)
InChIKeyZIDDWVWKVUPIHZ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.35
Rot. Bonds

About cyanophosphonic acid;bis(propan-2-amine)

cyanophosphonic acid;bis(propan-2-amine) (PubChem CID 15367031) has the molecular formula C7H20N3O3P and a molecular weight of 225.23 g/mol. Its IUPAC name is cyanophosphonic acid;bis(propan-2-amine).

Molecular Properties

Compound Namecyanophosphonic acid;bis(propan-2-amine)
PubChem CID15367031
Molecular FormulaC7H20N3O3P
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Namecyanophosphonic acid;bis(propan-2-amine)
SMILESCC(C)N.CC(C)N.N#CP(=O)(O)O
InChIInChI=1S/2C3H9N.CH2NO3P/c2*1-3(2)4;2-1-6(3,4)5/h2*3H,4H2,1-2H3;(H2,3,4,5)
InChIKeyZIDDWVWKVUPIHZ-UHFFFAOYSA-N
XLogP0.35
TPSA133.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyanophosphonic acid;bis(propan-2-amine)?
The IUPAC name of cyanophosphonic acid;bis(propan-2-amine) (CID 15367031) is cyanophosphonic acid;bis(propan-2-amine).
What is the SMILES notation for cyanophosphonic acid;bis(propan-2-amine)?
The canonical SMILES for cyanophosphonic acid;bis(propan-2-amine) is CC(C)N.CC(C)N.N#CP(=O)(O)O.
What is the InChIKey of cyanophosphonic acid;bis(propan-2-amine)?
The InChIKey is ZIDDWVWKVUPIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.CH2NO3P/c2*1-3(2)4;2-1-6(3,4)5/h2*3H,4H2,1-2H3;(H2,3,4,5).
What are the key properties of cyanophosphonic acid;bis(propan-2-amine)?
cyanophosphonic acid;bis(propan-2-amine) has a molecular weight of 225.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanophosphonic acid;bis(propan-2-amine) is sourced from PubChem (CID 15367031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).