About methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 161373365) has the molecular formula C25H53N3
and a molecular weight of 395.72 g/mol. Its IUPAC name is methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.
Molecular Properties
| Compound Name | methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane |
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| PubChem CID | 161373365 |
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| Molecular Formula | C25H53N3 |
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| Molecular Weight | 395.72 g/mol |
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| Exact Mass | 395.42 |
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| IUPAC Name | methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane |
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| SMILES | C.C.C.CN1C2CCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2 |
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| InChI | InChI=1S/C8H15N.2C7H13N.3CH4/c1-9-6-7-2-4-8(9)5-3-7;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;;;/h7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;3*1H4 |
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| InChIKey | VQTHEQWZHPPFLW-UHFFFAOYSA-N |
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| XLogP | 5.74 |
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| TPSA | 9.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 395.72 |
| LogP ≤ 5 | 5.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane with MolForge
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Frequently Asked Questions
What is the IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (CID 161373365) is methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is C.C.C.CN1C2CCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2.
What is the InChIKey of methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is VQTHEQWZHPPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C7H13N.3CH4/c1-9-6-7-2-4-8(9)5-3-7;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;;;/h7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;3*1H4.
What are the key properties of methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 395.72 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 161373365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).