[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid

C6H14N3O2P — CID 151292352

IUPAC[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid
SMILESCC(C)NC(C#N)COP(N)O
InChIInChI=1S/C6H14N3O2P/c1-5(2)9-6(3-7)4-11-12(8)10/h5-6,9-10H,4,8H2,1-2H3
InChIKeyXTBUCMNIHFDWPJ-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.07
Rot. Bonds5

About [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid

[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid (PubChem CID 151292352) has the molecular formula C6H14N3O2P and a molecular weight of 191.17 g/mol. Its IUPAC name is [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid.

Molecular Properties

Compound Name[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid
PubChem CID151292352
Molecular FormulaC6H14N3O2P
Molecular Weight191.17 g/mol
Exact Mass191.08
IUPAC Name[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid
SMILESCC(C)NC(C#N)COP(N)O
InChIInChI=1S/C6H14N3O2P/c1-5(2)9-6(3-7)4-11-12(8)10/h5-6,9-10H,4,8H2,1-2H3
InChIKeyXTBUCMNIHFDWPJ-UHFFFAOYSA-N
XLogP0.07
TPSA91.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid?
The IUPAC name of [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid (CID 151292352) is [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid.
What is the SMILES notation for [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid?
The canonical SMILES for [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid is CC(C)NC(C#N)COP(N)O.
What is the InChIKey of [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid?
The InChIKey is XTBUCMNIHFDWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N3O2P/c1-5(2)9-6(3-7)4-11-12(8)10/h5-6,9-10H,4,8H2,1-2H3.
What are the key properties of [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid?
[2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid has a molecular weight of 191.17 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-(propan-2-ylamino)ethoxy]phosphonamidous acid is sourced from PubChem (CID 151292352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).