About [(3S)-4-methylmorpholin-3-yl]methanamine
[(3S)-4-methylmorpholin-3-yl]methanamine (PubChem CID 66577079) has the molecular formula C6H14N2O
and a molecular weight of 130.19 g/mol. Its IUPAC name is [(3S)-4-methylmorpholin-3-yl]methanamine.
Molecular Properties
| Compound Name | [(3S)-4-methylmorpholin-3-yl]methanamine |
| PubChem CID | 66577079 |
| Molecular Formula | C6H14N2O |
| Molecular Weight | 130.19 g/mol |
| Exact Mass | 130.11 |
| IUPAC Name | [(3S)-4-methylmorpholin-3-yl]methanamine |
| SMILES | CN1CCOC[C@@H]1CN |
| InChI | InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3/t6-/m0/s1 |
| InChIKey | SDKGAFHSAMMJKY-LURJTMIESA-N |
| XLogP | -0.72 |
| TPSA | 38.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 130.19 |
| LogP ≤ 5 | -0.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [(3S)-4-methylmorpholin-3-yl]methanamine?
The IUPAC name of [(3S)-4-methylmorpholin-3-yl]methanamine (CID 66577079) is [(3S)-4-methylmorpholin-3-yl]methanamine.
What is the SMILES notation for [(3S)-4-methylmorpholin-3-yl]methanamine?
The canonical SMILES for [(3S)-4-methylmorpholin-3-yl]methanamine is CN1CCOC[C@@H]1CN.
What is the InChIKey of [(3S)-4-methylmorpholin-3-yl]methanamine?
The InChIKey is SDKGAFHSAMMJKY-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3/t6-/m0/s1.
What are the key properties of [(3S)-4-methylmorpholin-3-yl]methanamine?
[(3S)-4-methylmorpholin-3-yl]methanamine has a molecular weight of 130.19 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylmorpholin-3-yl]methanamine is sourced from PubChem (CID 66577079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).