ethyl phosphate;N-methylmethanamine

C4H12NO4P-2 — CID 19985438

IUPACethyl phosphate;N-methylmethanamine
SMILESCCOP(=O)([O-])[O-].CNC
InChIInChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5)/p-2
InChIKeyIJSPLEDUHYDKGK-UHFFFAOYSA-L
MW169.12 g/mol
LogP-1.31
Rot. Bonds2

About ethyl phosphate;N-methylmethanamine

ethyl phosphate;N-methylmethanamine (PubChem CID 19985438) has the molecular formula C4H12NO4P-2 and a molecular weight of 169.12 g/mol. Its IUPAC name is ethyl phosphate;N-methylmethanamine.

Molecular Properties

Compound Nameethyl phosphate;N-methylmethanamine
PubChem CID19985438
Molecular FormulaC4H12NO4P-2
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Nameethyl phosphate;N-methylmethanamine
SMILESCCOP(=O)([O-])[O-].CNC
InChIInChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5)/p-2
InChIKeyIJSPLEDUHYDKGK-UHFFFAOYSA-L
XLogP-1.31
TPSA84.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl phosphate;N-methylmethanamine?
The IUPAC name of ethyl phosphate;N-methylmethanamine (CID 19985438) is ethyl phosphate;N-methylmethanamine.
What is the SMILES notation for ethyl phosphate;N-methylmethanamine?
The canonical SMILES for ethyl phosphate;N-methylmethanamine is CCOP(=O)([O-])[O-].CNC.
What is the InChIKey of ethyl phosphate;N-methylmethanamine?
The InChIKey is IJSPLEDUHYDKGK-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H7N.C2H7O4P/c1-3-2;1-2-6-7(3,4)5/h3H,1-2H3;2H2,1H3,(H2,3,4,5)/p-2.
What are the key properties of ethyl phosphate;N-methylmethanamine?
ethyl phosphate;N-methylmethanamine has a molecular weight of 169.12 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl phosphate;N-methylmethanamine is sourced from PubChem (CID 19985438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).