About 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine
2-(azetidin-1-yl)-1-morpholin-4-ylethanimine (PubChem CID 130706300) has the molecular formula C9H17N3O
and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine.
Molecular Properties
| Compound Name | 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine |
| PubChem CID | 130706300 |
| Molecular Formula | C9H17N3O |
| Molecular Weight | 183.25 g/mol |
| Exact Mass | 183.14 |
| IUPAC Name | 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine |
| SMILES | [H]/N=C(/CN1CCC1)N1CCOCC1 |
| InChI | InChI=1S/C9H17N3O/c10-9(8-11-2-1-3-11)12-4-6-13-7-5-12/h10H,1-8H2/b10-9- |
| InChIKey | XQKMJDHLVFZPSI-KTKRTIGZSA-N |
| XLogP | 0.00 |
| TPSA | 39.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.25 |
| LogP ≤ 5 | 0.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine?
The IUPAC name of 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine (CID 130706300) is 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine is [H]/N=C(/CN1CCC1)N1CCOCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine?
The InChIKey is XQKMJDHLVFZPSI-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H17N3O/c10-9(8-11-2-1-3-11)12-4-6-13-7-5-12/h10H,1-8H2/b10-9-.
What are the key properties of 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine?
2-(azetidin-1-yl)-1-morpholin-4-ylethanimine has a molecular weight of 183.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-morpholin-4-ylethanimine is sourced from PubChem (CID 130706300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).