1-diethoxyphosphoryl-N-propan-2-ylethanimine

C9H20NO3P — CID 151285044

IUPAC1-diethoxyphosphoryl-N-propan-2-ylethanimine
SMILESCCOP(=O)(OCC)/C(C)=N/C(C)C
InChIInChI=1S/C9H20NO3P/c1-6-12-14(11,13-7-2)9(5)10-8(3)4/h8H,6-7H2,1-5H3/b10-9+
InChIKeyNZEYVDLVBLYMJW-MDZDMXLPSA-N
MW221.24 g/mol
LogP3.08
Rot. Bonds6

About 1-diethoxyphosphoryl-N-propan-2-ylethanimine

1-diethoxyphosphoryl-N-propan-2-ylethanimine (PubChem CID 151285044) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-propan-2-ylethanimine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-propan-2-ylethanimine
PubChem CID151285044
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Name1-diethoxyphosphoryl-N-propan-2-ylethanimine
SMILESCCOP(=O)(OCC)/C(C)=N/C(C)C
InChIInChI=1S/C9H20NO3P/c1-6-12-14(11,13-7-2)9(5)10-8(3)4/h8H,6-7H2,1-5H3/b10-9+
InChIKeyNZEYVDLVBLYMJW-MDZDMXLPSA-N
XLogP3.08
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-propan-2-ylethanimine?
The IUPAC name of 1-diethoxyphosphoryl-N-propan-2-ylethanimine (CID 151285044) is 1-diethoxyphosphoryl-N-propan-2-ylethanimine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-propan-2-ylethanimine?
The canonical SMILES for 1-diethoxyphosphoryl-N-propan-2-ylethanimine is CCOP(=O)(OCC)/C(C)=N/C(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-N-propan-2-ylethanimine?
The InChIKey is NZEYVDLVBLYMJW-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-6-12-14(11,13-7-2)9(5)10-8(3)4/h8H,6-7H2,1-5H3/b10-9+.
What are the key properties of 1-diethoxyphosphoryl-N-propan-2-ylethanimine?
1-diethoxyphosphoryl-N-propan-2-ylethanimine has a molecular weight of 221.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-propan-2-ylethanimine is sourced from PubChem (CID 151285044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).