About 6-amino-N-methyl-N-(oxan-4-yl)hexanamide
6-amino-N-methyl-N-(oxan-4-yl)hexanamide (PubChem CID 43611096) has the molecular formula C12H24N2O2
and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-4-yl)hexanamide.
Molecular Properties
| Compound Name | 6-amino-N-methyl-N-(oxan-4-yl)hexanamide |
| PubChem CID | 43611096 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.34 g/mol |
| Exact Mass | 228.18 |
| IUPAC Name | 6-amino-N-methyl-N-(oxan-4-yl)hexanamide |
| SMILES | CN(C(=O)CCCCCN)C1CCOCC1 |
| InChI | InChI=1S/C12H24N2O2/c1-14(11-6-9-16-10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3 |
| InChIKey | SVQHCYBYQNSJEI-UHFFFAOYSA-N |
| XLogP | 1.14 |
| TPSA | 55.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 228.34 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide (CID 43611096) is 6-amino-N-methyl-N-(oxan-4-yl)hexanamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide is CN(C(=O)CCCCCN)C1CCOCC1.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The InChIKey is SVQHCYBYQNSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(11-6-9-16-10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
6-amino-N-methyl-N-(oxan-4-yl)hexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide is sourced from PubChem (CID 43611096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).