N-dimethoxyphosphoryl-N-methylethanamine

C5H14NO3P — CID 86037659

IUPACN-dimethoxyphosphoryl-N-methylethanamine
SMILESCCN(C)P(=O)(OC)OC
InChIInChI=1S/C5H14NO3P/c1-5-6(2)10(7,8-3)9-4/h5H2,1-4H3
InChIKeyOZCLPGQPSGEJJK-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.34
Rot. Bonds4

About N-dimethoxyphosphoryl-N-methylethanamine

N-dimethoxyphosphoryl-N-methylethanamine (PubChem CID 86037659) has the molecular formula C5H14NO3P and a molecular weight of 167.15 g/mol. Its IUPAC name is N-dimethoxyphosphoryl-N-methylethanamine.

Molecular Properties

Compound NameN-dimethoxyphosphoryl-N-methylethanamine
PubChem CID86037659
Molecular FormulaC5H14NO3P
Molecular Weight167.15 g/mol
Exact Mass167.07
IUPAC NameN-dimethoxyphosphoryl-N-methylethanamine
SMILESCCN(C)P(=O)(OC)OC
InChIInChI=1S/C5H14NO3P/c1-5-6(2)10(7,8-3)9-4/h5H2,1-4H3
InChIKeyOZCLPGQPSGEJJK-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethoxyphosphoryl-N-methylethanamine?
The IUPAC name of N-dimethoxyphosphoryl-N-methylethanamine (CID 86037659) is N-dimethoxyphosphoryl-N-methylethanamine.
What is the SMILES notation for N-dimethoxyphosphoryl-N-methylethanamine?
The canonical SMILES for N-dimethoxyphosphoryl-N-methylethanamine is CCN(C)P(=O)(OC)OC.
What is the InChIKey of N-dimethoxyphosphoryl-N-methylethanamine?
The InChIKey is OZCLPGQPSGEJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO3P/c1-5-6(2)10(7,8-3)9-4/h5H2,1-4H3.
What are the key properties of N-dimethoxyphosphoryl-N-methylethanamine?
N-dimethoxyphosphoryl-N-methylethanamine has a molecular weight of 167.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethoxyphosphoryl-N-methylethanamine is sourced from PubChem (CID 86037659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).