About N-(pyridin-2-ylmethoxy)methanamine
N-(pyridin-2-ylmethoxy)methanamine (PubChem CID 58351102) has the molecular formula C7H10N2O
and a molecular weight of 138.17 g/mol. Its IUPAC name is N-(pyridin-2-ylmethoxy)methanamine.
Molecular Properties
| Compound Name | N-(pyridin-2-ylmethoxy)methanamine |
| PubChem CID | 58351102 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.17 g/mol |
| Exact Mass | 138.08 |
| IUPAC Name | N-(pyridin-2-ylmethoxy)methanamine |
| SMILES | CNOCc1ccccn1 |
| InChI | InChI=1S/C7H10N2O/c1-8-10-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3 |
| InChIKey | DHMSTLFDIAUYHI-UHFFFAOYSA-N |
| XLogP | 0.73 |
| TPSA | 34.15 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 138.17 |
| LogP ≤ 5 | 0.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(pyridin-2-ylmethoxy)methanamine?
The IUPAC name of N-(pyridin-2-ylmethoxy)methanamine (CID 58351102) is N-(pyridin-2-ylmethoxy)methanamine.
What is the SMILES notation for N-(pyridin-2-ylmethoxy)methanamine?
The canonical SMILES for N-(pyridin-2-ylmethoxy)methanamine is CNOCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethoxy)methanamine?
The InChIKey is DHMSTLFDIAUYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-10-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3.
What are the key properties of N-(pyridin-2-ylmethoxy)methanamine?
N-(pyridin-2-ylmethoxy)methanamine has a molecular weight of 138.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethoxy)methanamine is sourced from PubChem (CID 58351102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).