N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine

C8H20NO3P — CID 170850987

IUPACN-[ethoxy(propoxy)phosphoryl]-N-methylethanamine
SMILESCCCOP(=O)(OCC)N(C)CC
InChIInChI=1S/C8H20NO3P/c1-5-8-12-13(10,11-7-3)9(4)6-2/h5-8H2,1-4H3
InChIKeyXAFVWUILPOJEFH-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.51
Rot. Bonds7

About N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine

N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine (PubChem CID 170850987) has the molecular formula C8H20NO3P and a molecular weight of 209.23 g/mol. Its IUPAC name is N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine.

Molecular Properties

Compound NameN-[ethoxy(propoxy)phosphoryl]-N-methylethanamine
PubChem CID170850987
Molecular FormulaC8H20NO3P
Molecular Weight209.23 g/mol
Exact Mass209.12
IUPAC NameN-[ethoxy(propoxy)phosphoryl]-N-methylethanamine
SMILESCCCOP(=O)(OCC)N(C)CC
InChIInChI=1S/C8H20NO3P/c1-5-8-12-13(10,11-7-3)9(4)6-2/h5-8H2,1-4H3
InChIKeyXAFVWUILPOJEFH-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.51
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-[ethoxy(propoxy)phosphoryl]-N-methylethanamine?
The IUPAC name of N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine (CID 170850987) is N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine.
What is the SMILES notation for N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine?
The canonical SMILES for N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine is CCCOP(=O)(OCC)N(C)CC.
What is the InChIKey of N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine?
The InChIKey is XAFVWUILPOJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3P/c1-5-8-12-13(10,11-7-3)9(4)6-2/h5-8H2,1-4H3.
What are the key properties of N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine?
N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine has a molecular weight of 209.23 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(propoxy)phosphoryl]-N-methylethanamine is sourced from PubChem (CID 170850987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).