About 4-methyl-1-azabicyclo[2.2.1]heptane
4-methyl-1-azabicyclo[2.2.1]heptane (PubChem CID 11267799) has the molecular formula C7H13N
and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methyl-1-azabicyclo[2.2.1]heptane.
Molecular Properties
| Compound Name | 4-methyl-1-azabicyclo[2.2.1]heptane |
|---|
| PubChem CID | 11267799 |
|---|
| Molecular Formula | C7H13N |
|---|
| Molecular Weight | 111.19 g/mol |
|---|
| Exact Mass | 111.10 |
|---|
| IUPAC Name | 4-methyl-1-azabicyclo[2.2.1]heptane |
|---|
| SMILES | CC12CCN(CC1)C2 |
|---|
| InChI | InChI=1S/C7H13N/c1-7-2-4-8(6-7)5-3-7/h2-6H2,1H3 |
|---|
| InChIKey | FTJBBYKIXUDEJE-UHFFFAOYSA-N |
|---|
| XLogP | 1.10 |
|---|
| TPSA | 3.24 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 111.19 |
| LogP ≤ 5 | 1.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-methyl-1-azabicyclo[2.2.1]heptane (CID 11267799) is 4-methyl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-methyl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-methyl-1-azabicyclo[2.2.1]heptane is CC12CCN(CC1)C2.
What is the InChIKey of 4-methyl-1-azabicyclo[2.2.1]heptane?
The InChIKey is FTJBBYKIXUDEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-2-4-8(6-7)5-3-7/h2-6H2,1H3.
What are the key properties of 4-methyl-1-azabicyclo[2.2.1]heptane?
4-methyl-1-azabicyclo[2.2.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).