N,2-bis(diethoxyphosphoryl)-N-methylethanamine

C11H27NO6P2 — CID 12557388

IUPACN,2-bis(diethoxyphosphoryl)-N-methylethanamine
SMILESCCOP(=O)(CCN(C)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H27NO6P2/c1-6-15-19(13,16-7-2)11-10-12(5)20(14,17-8-3)18-9-4/h6-11H2,1-5H3
InChIKeyRWMCNOKAGQSKLG-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.37
Rot. Bonds12

About N,2-bis(diethoxyphosphoryl)-N-methylethanamine

N,2-bis(diethoxyphosphoryl)-N-methylethanamine (PubChem CID 12557388) has the molecular formula C11H27NO6P2 and a molecular weight of 331.29 g/mol. Its IUPAC name is N,2-bis(diethoxyphosphoryl)-N-methylethanamine.

Molecular Properties

Compound NameN,2-bis(diethoxyphosphoryl)-N-methylethanamine
PubChem CID12557388
Molecular FormulaC11H27NO6P2
Molecular Weight331.29 g/mol
Exact Mass331.13
IUPAC NameN,2-bis(diethoxyphosphoryl)-N-methylethanamine
SMILESCCOP(=O)(CCN(C)P(=O)(OCC)OCC)OCC
InChIInChI=1S/C11H27NO6P2/c1-6-15-19(13,16-7-2)11-10-12(5)20(14,17-8-3)18-9-4/h6-11H2,1-5H3
InChIKeyRWMCNOKAGQSKLG-UHFFFAOYSA-N
XLogP3.37
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(diethoxyphosphoryl)-N-methylethanamine?
The IUPAC name of N,2-bis(diethoxyphosphoryl)-N-methylethanamine (CID 12557388) is N,2-bis(diethoxyphosphoryl)-N-methylethanamine.
What is the SMILES notation for N,2-bis(diethoxyphosphoryl)-N-methylethanamine?
The canonical SMILES for N,2-bis(diethoxyphosphoryl)-N-methylethanamine is CCOP(=O)(CCN(C)P(=O)(OCC)OCC)OCC.
What is the InChIKey of N,2-bis(diethoxyphosphoryl)-N-methylethanamine?
The InChIKey is RWMCNOKAGQSKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO6P2/c1-6-15-19(13,16-7-2)11-10-12(5)20(14,17-8-3)18-9-4/h6-11H2,1-5H3.
What are the key properties of N,2-bis(diethoxyphosphoryl)-N-methylethanamine?
N,2-bis(diethoxyphosphoryl)-N-methylethanamine has a molecular weight of 331.29 g/mol, XLogP of 3.37, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(diethoxyphosphoryl)-N-methylethanamine is sourced from PubChem (CID 12557388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).