N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine

C7H18NO4P — CID 174811065

IUPACN,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine
SMILESCCON(CP(C)(=O)OC)OCC
InChIInChI=1S/C7H18NO4P/c1-5-11-8(12-6-2)7-13(4,9)10-3/h5-7H2,1-4H3
InChIKeyKAJARDQALCFSSA-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.70
Rot. Bonds7

About N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine

N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine (PubChem CID 174811065) has the molecular formula C7H18NO4P and a molecular weight of 211.20 g/mol. Its IUPAC name is N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine.

Molecular Properties

Compound NameN,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine
PubChem CID174811065
Molecular FormulaC7H18NO4P
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC NameN,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine
SMILESCCON(CP(C)(=O)OC)OCC
InChIInChI=1S/C7H18NO4P/c1-5-11-8(12-6-2)7-13(4,9)10-3/h5-7H2,1-4H3
InChIKeyKAJARDQALCFSSA-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetraethoxyethane-1,2-diamine
CID 86169848
ethyl 3-[methoxy(methyl)phosphoryl]propanoate
CID 11019721
[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 20667852
1,2-diethoxy-1,2-dimethoxyhydrazine
CID 154020746
1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane
CID 90315580
3-[methoxy(methyl)phosphoryl]propanoic acid
CID 87778211
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
[fluoro(methylperoxy)amino]oxyethane
CID 154427669
diethoxy methyl phosphate
CID 154199840
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571

Frequently Asked Questions

What is the IUPAC name of N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine?
The IUPAC name of N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine (CID 174811065) is N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine.
What is the SMILES notation for N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine?
The canonical SMILES for N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine is CCON(CP(C)(=O)OC)OCC.
What is the InChIKey of N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine?
The InChIKey is KAJARDQALCFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO4P/c1-5-11-8(12-6-2)7-13(4,9)10-3/h5-7H2,1-4H3.
What are the key properties of N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine?
N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine has a molecular weight of 211.20 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine is sourced from PubChem (CID 174811065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).