2-diethoxyphosphoryl-N-methylethanimine oxide

C7H16NO4P — CID 134895089

IUPAC2-diethoxyphosphoryl-N-methylethanimine oxide
SMILESCCOP(=O)(C/C=[N+](/C)[O-])OCC
InChIInChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeyRTHBJQSEHNADOC-VURMDHGXSA-N
MW209.18 g/mol
LogP1.46
Rot. Bonds6

About 2-diethoxyphosphoryl-N-methylethanimine oxide

2-diethoxyphosphoryl-N-methylethanimine oxide (PubChem CID 134895089) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-methylethanimine oxide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-methylethanimine oxide
PubChem CID134895089
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name2-diethoxyphosphoryl-N-methylethanimine oxide
SMILESCCOP(=O)(C/C=[N+](/C)[O-])OCC
InChIInChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h6H,4-5,7H2,1-3H3/b8-6-
InChIKeyRTHBJQSEHNADOC-VURMDHGXSA-N
XLogP1.46
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-diethoxyphosphoryl-N-methylethanimine oxide 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-diethoxyphosphoryl-N-methylethanimine oxide?
The IUPAC name of 2-diethoxyphosphoryl-N-methylethanimine oxide (CID 134895089) is 2-diethoxyphosphoryl-N-methylethanimine oxide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-methylethanimine oxide?
The canonical SMILES for 2-diethoxyphosphoryl-N-methylethanimine oxide is CCOP(=O)(C/C=[N+](/C)[O-])OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-methylethanimine oxide?
The InChIKey is RTHBJQSEHNADOC-VURMDHGXSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h6H,4-5,7H2,1-3H3/b8-6-.
What are the key properties of 2-diethoxyphosphoryl-N-methylethanimine oxide?
2-diethoxyphosphoryl-N-methylethanimine oxide has a molecular weight of 209.18 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-methylethanimine oxide is sourced from PubChem (CID 134895089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).