1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine

C8H20NO4P — CID 13111732

IUPAC1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine
SMILESCCOP(=O)(OCC)C(OC)N(C)C
InChIInChI=1S/C8H20NO4P/c1-6-12-14(10,13-7-2)8(11-5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyLDDOACINXIGWGX-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.74
Rot. Bonds7

About 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine

1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine (PubChem CID 13111732) has the molecular formula C8H20NO4P and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine
PubChem CID13111732
Molecular FormulaC8H20NO4P
Molecular Weight225.22 g/mol
Exact Mass225.11
IUPAC Name1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine
SMILESCCOP(=O)(OCC)C(OC)N(C)C
InChIInChI=1S/C8H20NO4P/c1-6-12-14(10,13-7-2)8(11-5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyLDDOACINXIGWGX-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
CID 10935280
CID 10935280
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
(2-diethoxyphosphoryl-1,1,2-trimethoxyethyl)silane
CID 173454501
methyl 3-diethoxyphosphorylbutanoate
CID 14418068
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
CID 102573066
CID 102573066

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine (CID 13111732) is 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine is CCOP(=O)(OCC)C(OC)N(C)C.
What is the InChIKey of 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine?
The InChIKey is LDDOACINXIGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4P/c1-6-12-14(10,13-7-2)8(11-5)9(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine?
1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine has a molecular weight of 225.22 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-methoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 13111732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).