2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid

C9H19N2O2P — CID 167509215

IUPAC2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
SMILESCC(C)N(OP(O)CCC#N)C(C)C
InChIInChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)13-14(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyFPXGTRULGNZEPP-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.25
Rot. Bonds6

About 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid

2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid (PubChem CID 167509215) has the molecular formula C9H19N2O2P and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid.

Molecular Properties

Compound Name2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
PubChem CID167509215
Molecular FormulaC9H19N2O2P
Molecular Weight218.24 g/mol
Exact Mass218.12
IUPAC Name2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid
SMILESCC(C)N(OP(O)CCC#N)C(C)C
InChIInChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)13-14(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3
InChIKeyFPXGTRULGNZEPP-UHFFFAOYSA-N
XLogP2.25
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid?
The IUPAC name of 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid (CID 167509215) is 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid.
What is the SMILES notation for 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid?
The canonical SMILES for 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid is CC(C)N(OP(O)CCC#N)C(C)C.
What is the InChIKey of 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid?
The InChIKey is FPXGTRULGNZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P/c1-8(2)11(9(3)4)13-14(12)7-5-6-10/h8-9,12H,5,7H2,1-4H3.
What are the key properties of 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid?
2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid has a molecular weight of 218.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl-[di(propan-2-yl)amino]oxyphosphinous acid is sourced from PubChem (CID 167509215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).