diaminophosphoryloxyethane

C2H9N2O2P — CID 12620494

IUPACdiaminophosphoryloxyethane
SMILESCCOP(N)(N)=O
InChIInChI=1S/C2H9N2O2P/c1-2-6-7(3,4)5/h2H2,1H3,(H4,3,4,5)
InChIKeyVPJHVTHFXRNAEX-UHFFFAOYSA-N
MW124.08 g/mol
LogP0.05
Rot. Bonds2

About diaminophosphoryloxyethane

diaminophosphoryloxyethane (PubChem CID 12620494) has the molecular formula C2H9N2O2P and a molecular weight of 124.08 g/mol. Its IUPAC name is diaminophosphoryloxyethane.

Molecular Properties

Compound Namediaminophosphoryloxyethane
PubChem CID12620494
Molecular FormulaC2H9N2O2P
Molecular Weight124.08 g/mol
Exact Mass124.04
IUPAC Namediaminophosphoryloxyethane
SMILESCCOP(N)(N)=O
InChIInChI=1S/C2H9N2O2P/c1-2-6-7(3,4)5/h2H2,1H3,(H4,3,4,5)
InChIKeyVPJHVTHFXRNAEX-UHFFFAOYSA-N
XLogP0.05
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diaminophosphoryloxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
diethoxy ethyl phosphate
CID 22136775
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
CID 131882906
CID 131882906
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763
1-diethoxyphosphorylethanamine
CID 5149858
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of diaminophosphoryloxyethane?
The IUPAC name of diaminophosphoryloxyethane (CID 12620494) is diaminophosphoryloxyethane.
What is the SMILES notation for diaminophosphoryloxyethane?
The canonical SMILES for diaminophosphoryloxyethane is CCOP(N)(N)=O.
What is the InChIKey of diaminophosphoryloxyethane?
The InChIKey is VPJHVTHFXRNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N2O2P/c1-2-6-7(3,4)5/h2H2,1H3,(H4,3,4,5).
What are the key properties of diaminophosphoryloxyethane?
diaminophosphoryloxyethane has a molecular weight of 124.08 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminophosphoryloxyethane is sourced from PubChem (CID 12620494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).