About bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine
bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine (PubChem CID 159292695) has the molecular formula C45H97N5O5
and a molecular weight of 788.30 g/mol. Its IUPAC name is bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine.
Molecular Properties
| Compound Name | bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine |
|---|
| PubChem CID | 159292695 |
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| Molecular Formula | C45H97N5O5 |
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| Molecular Weight | 788.30 g/mol |
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| Exact Mass | 787.75 |
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| IUPAC Name | bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine |
|---|
| SMILES | C.CC(C)N1CCOCC1C.CCC1CN(C(C)C)CCO1.CCC1CN(C(C)C)CCO1.CCC1COCCN1C(C)C.CCC1COCCN1C(C)C |
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| InChI | InChI=1S/4C9H19NO.C8H17NO.CH4/c2*1-4-9-7-11-6-5-10(9)8(2)3;2*1-4-9-7-10(8(2)3)5-6-11-9;1-7(2)9-4-5-10-6-8(9)3;/h4*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;1H4 |
|---|
| InChIKey | LAICDXHOQUAHLP-UHFFFAOYSA-N |
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| XLogP | 7.77 |
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| TPSA | 62.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 788.30 |
| LogP ≤ 5 | 7.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine?
The IUPAC name of bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine (CID 159292695) is bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine.
What is the SMILES notation for bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine?
The canonical SMILES for bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine is C.CC(C)N1CCOCC1C.CCC1CN(C(C)C)CCO1.CCC1CN(C(C)C)CCO1.CCC1COCCN1C(C)C.CCC1COCCN1C(C)C.
What is the InChIKey of bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine?
The InChIKey is LAICDXHOQUAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H19NO.C8H17NO.CH4/c2*1-4-9-7-11-6-5-10(9)8(2)3;2*1-4-9-7-10(8(2)3)5-6-11-9;1-7(2)9-4-5-10-6-8(9)3;/h4*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;1H4.
What are the key properties of bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine?
bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine has a molecular weight of 788.30 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-4-propan-2-ylmorpholine);bis(3-ethyl-4-propan-2-ylmorpholine);methane;3-methyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 159292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).