About methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one
methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one (PubChem CID 160885052) has the molecular formula C32H75N5O3
and a molecular weight of 577.98 g/mol. Its IUPAC name is methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one.
Molecular Properties
| Compound Name | methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one |
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| PubChem CID | 160885052 |
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| Molecular Formula | C32H75N5O3 |
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| Molecular Weight | 577.98 g/mol |
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| Exact Mass | 577.59 |
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| IUPAC Name | methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one |
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| SMILES | C.C.C.C.C.CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1=O.CN1CCOCC1 |
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| InChI | InChI=1S/C6H11NO.C6H13N.C5H11NO.C5H9NO.C5H11N.5CH4/c1-7-5-3-2-4-6(7)8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;;;;;/h2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3;5*1H4 |
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| InChIKey | SNNIZUQSLIIHQB-UHFFFAOYSA-N |
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| XLogP | 5.81 |
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| TPSA | 59.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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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 | 577.98 |
| LogP ≤ 5 | 5.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The IUPAC name of methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one (CID 160885052) is methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one.
What is the SMILES notation for methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The canonical SMILES for methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one is C.C.C.C.C.CN1CCCC1.CN1CCCC1=O.CN1CCCCC1.CN1CCCCC1=O.CN1CCOCC1.
What is the InChIKey of methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
The InChIKey is SNNIZUQSLIIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H13N.C5H11NO.C5H9NO.C5H11N.5CH4/c1-7-5-3-2-4-6(7)8;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5(6)7;1-6-4-2-3-5-6;;;;;/h2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;2-5H2,1H3;5*1H4.
What are the key properties of methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one?
methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one has a molecular weight of 577.98 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-2-one;1-methylpyrrolidine;1-methylpyrrolidin-2-one is sourced from PubChem (CID 160885052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).