About N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide (PubChem CID 154671249) has the molecular formula C10H18N2O
and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide.
Molecular Properties
| Compound Name | N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide |
| PubChem CID | 154671249 |
| Molecular Formula | C10H18N2O |
| Molecular Weight | 182.27 g/mol |
| Exact Mass | 182.14 |
| IUPAC Name | N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide |
| SMILES | CN1CCC2(CC1)CC2CNC=O |
| InChI | InChI=1S/C10H18N2O/c1-12-4-2-10(3-5-12)6-9(10)7-11-8-13/h8-9H,2-7H2,1H3,(H,11,13) |
| InChIKey | OEIWCQMWFCAOAP-UHFFFAOYSA-N |
| XLogP | 0.46 |
| TPSA | 32.34 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.27 |
| LogP ≤ 5 | 0.46 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide?
The IUPAC name of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide (CID 154671249) is N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide.
What is the SMILES notation for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide?
The canonical SMILES for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide is CN1CCC2(CC1)CC2CNC=O.
What is the InChIKey of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide?
The InChIKey is OEIWCQMWFCAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-4-2-10(3-5-12)6-9(10)7-11-8-13/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide?
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide has a molecular weight of 182.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide is sourced from PubChem (CID 154671249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).