About methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine
methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine (PubChem CID 157233166) has the molecular formula C40H93N5O
and a molecular weight of 660.22 g/mol. Its IUPAC name is methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine.
Molecular Properties
| Compound Name | methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine |
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| PubChem CID | 157233166 |
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| Molecular Formula | C40H93N5O |
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| Molecular Weight | 660.22 g/mol |
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| Exact Mass | 659.74 |
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| IUPAC Name | methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine |
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| SMILES | C.C.C.C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCOCC1 |
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| InChI | InChI=1S/C11H24N2.C9H19N.C8H17NO.C8H17N.4CH4/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;;;;/h10-11H,5-9H2,1-4H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;4*1H4 |
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| InChIKey | AUIJFQGAFXFOGY-UHFFFAOYSA-N |
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| XLogP | 9.05 |
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| TPSA | 25.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 660.22 |
| LogP ≤ 5 | 9.05 |
| 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-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine?
The IUPAC name of methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine (CID 157233166) is methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine is C.C.C.C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCOCC1.
What is the InChIKey of methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine?
The InChIKey is AUIJFQGAFXFOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C9H19N.C8H17NO.C8H17N.4CH4/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-9;;;;/h10-11H,5-9H2,1-4H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;4*1H4.
What are the key properties of methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine?
methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine has a molecular weight of 660.22 g/mol, XLogP of 9.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 157233166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).