1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid

C9H19N2O2P — CID 18405949

IUPAC1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C#N)OP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19N2O2P/c1-7(2)11(8(3)4)14(12)13-9(5)6-10/h7-9,12H,1-5H3
InChIKeyAYKBTKYREQOCLM-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.25
Rot. Bonds5

About 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid

1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid (PubChem CID 18405949) has the molecular formula C9H19N2O2P and a molecular weight of 218.24 g/mol. Its IUPAC name is 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid.

Molecular Properties

Compound Name1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
PubChem CID18405949
Molecular FormulaC9H19N2O2P
Molecular Weight218.24 g/mol
Exact Mass218.12
IUPAC Name1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid
SMILESCC(C#N)OP(O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19N2O2P/c1-7(2)11(8(3)4)14(12)13-9(5)6-10/h7-9,12H,1-5H3
InChIKeyAYKBTKYREQOCLM-UHFFFAOYSA-N
XLogP2.25
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The IUPAC name of 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid (CID 18405949) is 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid.
What is the SMILES notation for 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The canonical SMILES for 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid is CC(C#N)OP(O)N(C(C)C)C(C)C.
What is the InChIKey of 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
The InChIKey is AYKBTKYREQOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2P/c1-7(2)11(8(3)4)14(12)13-9(5)6-10/h7-9,12H,1-5H3.
What are the key properties of 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid?
1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid has a molecular weight of 218.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid is sourced from PubChem (CID 18405949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).