About (dimethylamino)methyl formate
(dimethylamino)methyl formate (PubChem CID 22056831) has the molecular formula C4H9NO2
and a molecular weight of 103.12 g/mol. Its IUPAC name is (dimethylamino)methyl formate.
Molecular Properties
| Compound Name | (dimethylamino)methyl formate |
|---|
| PubChem CID | 22056831 |
|---|
| Molecular Formula | C4H9NO2 |
|---|
| Molecular Weight | 103.12 g/mol |
|---|
| Exact Mass | 103.06 |
|---|
| IUPAC Name | (dimethylamino)methyl formate |
|---|
| SMILES | CN(C)COC=O |
|---|
| InChI | InChI=1S/C4H9NO2/c1-5(2)3-7-4-6/h4H,3H2,1-2H3 |
|---|
| InChIKey | JGYKQESSDGYASB-UHFFFAOYSA-N |
|---|
| XLogP | -0.32 |
|---|
| TPSA | 29.54 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 103.12 |
| LogP ≤ 5 | -0.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Analyze (dimethylamino)methyl formate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (dimethylamino)methyl formate?
The IUPAC name of (dimethylamino)methyl formate (CID 22056831) is (dimethylamino)methyl formate.
What is the SMILES notation for (dimethylamino)methyl formate?
The canonical SMILES for (dimethylamino)methyl formate is CN(C)COC=O.
What is the InChIKey of (dimethylamino)methyl formate?
The InChIKey is JGYKQESSDGYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5(2)3-7-4-6/h4H,3H2,1-2H3.
What are the key properties of (dimethylamino)methyl formate?
(dimethylamino)methyl formate has a molecular weight of 103.12 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl formate is sourced from PubChem (CID 22056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).