About 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 96555130) has the molecular formula C10H15N3O
and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
Molecular Properties
| Compound Name | 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide |
| PubChem CID | 96555130 |
| Molecular Formula | C10H15N3O |
| Molecular Weight | 193.25 g/mol |
| Exact Mass | 193.12 |
| IUPAC Name | 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide |
| SMILES | C[C@@H](c1ccccn1)N(C)C(=O)CN |
| InChI | InChI=1S/C10H15N3O/c1-8(13(2)10(14)7-11)9-5-3-4-6-12-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1 |
| InChIKey | YEPWPRRFGHWWQZ-QMMMGPOBSA-N |
| XLogP | 0.56 |
| TPSA | 59.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 193.25 |
| LogP ≤ 5 | 0.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 96555130) is 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@@H](c1ccccn1)N(C)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is YEPWPRRFGHWWQZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(13(2)10(14)7-11)9-5-3-4-6-12-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 96555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).