(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine

C8H18NO4P — CID 129409647

IUPAC(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
SMILESCCOP(=O)(C/C(C)=N\OC)OCC
InChIInChI=1S/C8H18NO4P/c1-5-12-14(10,13-6-2)7-8(3)9-11-4/h5-7H2,1-4H3/b9-8-
InChIKeyVKXSDKSQWZGYSD-HJWRWDBZSA-N
MW223.21 g/mol
LogP2.27
Rot. Bonds7

About (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine

(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine (PubChem CID 129409647) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
PubChem CID129409647
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine
SMILESCCOP(=O)(C/C(C)=N\OC)OCC
InChIInChI=1S/C8H18NO4P/c1-5-12-14(10,13-6-2)7-8(3)9-11-4/h5-7H2,1-4H3/b9-8-
InChIKeyVKXSDKSQWZGYSD-HJWRWDBZSA-N
XLogP2.27
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
3-[ethoxy(methoxy)phosphoryl]-2-methylprop-1-ene
CID 142703300
ethyl 2-diethoxyphosphorylacetate
CID 10911236
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
2-diethoxyphosphorylacetyl azide
CID 59835448
4-diethoxyphosphoryl-3-methyl(1,2-13C2)but-2-enenitrile
CID 131667764
sodium diethoxyphosphorylmethanol
CID 22274944
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
(Z)-1-diethoxyphosphoryl-3-fluorobut-2-ene
CID 15499028
1-diethoxyphosphoryl-3-ethoxypropan-2-one
CID 23262182
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497
1-diethoxyphosphoryl-N-methoxypentan-1-imine
CID 131851037

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine?
The IUPAC name of (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine (CID 129409647) is (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine is CCOP(=O)(C/C(C)=N\OC)OCC.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine?
The InChIKey is VKXSDKSQWZGYSD-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-5-12-14(10,13-6-2)7-8(3)9-11-4/h5-7H2,1-4H3/b9-8-.
What are the key properties of (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine?
(Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine has a molecular weight of 223.21 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-N-methoxypropan-2-imine is sourced from PubChem (CID 129409647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).