About methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (PubChem CID 158354923) has the molecular formula C31H68N6O2
and a molecular weight of 556.93 g/mol. Its IUPAC name is methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.
Molecular Properties
| Compound Name | methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine |
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| PubChem CID | 158354923 |
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| Molecular Formula | C31H68N6O2 |
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| Molecular Weight | 556.93 g/mol |
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| Exact Mass | 556.54 |
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| IUPAC Name | methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine |
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| SMILES | C.C.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCOC1.CN1CCOCC1.Cn1cccc1 |
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| InChI | InChI=1S/C6H13N.C5H11NO.C5H11N.C5H7N.C4H9NO.C4H9N.2CH4/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-5;;/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2-4H2,1H3;2-4H2,1H3;2*1H4 |
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| InChIKey | GSTIBFMQRAPFKC-UHFFFAOYSA-N |
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| XLogP | 4.29 |
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| TPSA | 39.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 556.93 |
| LogP ≤ 5 | 4.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The IUPAC name of methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (CID 158354923) is methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.
What is the SMILES notation for methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The canonical SMILES for methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is C.C.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCOC1.CN1CCOCC1.Cn1cccc1.
What is the InChIKey of methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The InChIKey is GSTIBFMQRAPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO.C5H11N.C5H7N.C4H9NO.C4H9N.2CH4/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-5;;/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;2-4H2,1H3;2-4H2,1H3;2*1H4.
What are the key properties of methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 556.93 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylazetidine;4-methylmorpholine;3-methyl-1,3-oxazolidine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 158354923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).