1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine

C11H19N2O3P — CID 4095334

IUPAC1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCOP(=O)(OCC)C(NC)c1cccnc1
InChIInChI=1S/C11H19N2O3P/c1-4-15-17(14,16-5-2)11(12-3)10-7-6-8-13-9-10/h6-9,11-12H,4-5H2,1-3H3
InChIKeyGGBBPXJFYTXVST-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.57
Rot. Bonds7

About 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine

1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 4095334) has the molecular formula C11H19N2O3P and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID4095334
Molecular FormulaC11H19N2O3P
Molecular Weight258.26 g/mol
Exact Mass258.11
IUPAC Name1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCOP(=O)(OCC)C(NC)c1cccnc1
InChIInChI=1S/C11H19N2O3P/c1-4-15-17(14,16-5-2)11(12-3)10-7-6-8-13-9-10/h6-9,11-12H,4-5H2,1-3H3
InChIKeyGGBBPXJFYTXVST-UHFFFAOYSA-N
XLogP2.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.57
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 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine (CID 4095334) is 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine is CCOP(=O)(OCC)C(NC)c1cccnc1.
What is the InChIKey of 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is GGBBPXJFYTXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O3P/c1-4-15-17(14,16-5-2)11(12-3)10-7-6-8-13-9-10/h6-9,11-12H,4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine?
1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 258.26 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 4095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).