About [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine (PubChem CID 130546872) has the molecular formula C10H20N2O
and a molecular weight of 184.28 g/mol. Its IUPAC name is [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine.
Molecular Properties
| Compound Name | [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine |
| PubChem CID | 130546872 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.28 g/mol |
| Exact Mass | 184.16 |
| IUPAC Name | [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine |
| SMILES | COC1CN(C2(CN)CCCC2)C1 |
| InChI | InChI=1S/C10H20N2O/c1-13-9-6-12(7-9)10(8-11)4-2-3-5-10/h9H,2-8,11H2,1H3 |
| InChIKey | VGXNIYDAXYMVIJ-UHFFFAOYSA-N |
| XLogP | 0.59 |
| TPSA | 38.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 184.28 |
| LogP ≤ 5 | 0.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine (CID 130546872) is [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine is COC1CN(C2(CN)CCCC2)C1.
What is the InChIKey of [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine?
The InChIKey is VGXNIYDAXYMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-9-6-12(7-9)10(8-11)4-2-3-5-10/h9H,2-8,11H2,1H3.
What are the key properties of [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine?
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 130546872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).