About methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 160833574) has the molecular formula C33H80N6O
and a molecular weight of 577.04 g/mol. Its IUPAC name is methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine.
Molecular Properties
| Compound Name | methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine |
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| PubChem CID | 160833574 |
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| Molecular Formula | C33H80N6O |
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| Molecular Weight | 577.04 g/mol |
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| Exact Mass | 576.64 |
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| IUPAC Name | methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine |
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| SMILES | C.C.C.C.C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1 |
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| InChI | InChI=1S/C7H13N.C6H13N.C5H12N2.C5H11NO.C5H11N.5CH4/c1-8-5-6-2-3-7(8)4-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;;;;;/h6-7H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;5*1H4 |
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| InChIKey | SHCUZONMUQLQKA-UHFFFAOYSA-N |
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| XLogP | 5.56 |
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| TPSA | 37.46 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 577.04 |
| LogP ≤ 5 | 5.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine (CID 160833574) is methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine is C.C.C.C.C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is SHCUZONMUQLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H13N.C5H12N2.C5H11NO.C5H11N.5CH4/c1-8-5-6-2-3-7(8)4-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;;;;;/h6-7H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;5*1H4.
What are the key properties of methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine?
methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 577.04 g/mol, XLogP of 5.56, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 160833574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).