About 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine
2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine (PubChem CID 157327483) has the molecular formula C38H84N6O5
and a molecular weight of 705.13 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine.
Molecular Properties
| Compound Name | 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine |
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| PubChem CID | 157327483 |
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| Molecular Formula | C38H84N6O5 |
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| Molecular Weight | 705.13 g/mol |
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| Exact Mass | 704.65 |
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| IUPAC Name | 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine |
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| SMILES | COCCCN1CCCCC1.COCCN(C)C.COCCN1CCCCC1.COCCN1CCCCC1.COCCN1CCN(C)CC1 |
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| InChI | InChI=1S/C9H19NO.C8H18N2O.2C8H17NO.C5H13NO/c1-11-9-5-8-10-6-3-2-4-7-10;1-9-3-5-10(6-4-9)7-8-11-2;2*1-10-8-7-9-5-3-2-4-6-9;1-6(2)4-5-7-3/h2-9H2,1H3;3-8H2,1-2H3;2*2-8H2,1H3;4-5H2,1-3H3 |
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| InChIKey | BEXAWPCPXKDEGR-UHFFFAOYSA-N |
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| XLogP | 3.82 |
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| TPSA | 65.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 705.13 |
| LogP ≤ 5 | 3.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine?
The IUPAC name of 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine (CID 157327483) is 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine?
The canonical SMILES for 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine is COCCCN1CCCCC1.COCCN(C)C.COCCN1CCCCC1.COCCN1CCCCC1.COCCN1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine?
The InChIKey is BEXAWPCPXKDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H18N2O.2C8H17NO.C5H13NO/c1-11-9-5-8-10-6-3-2-4-7-10;1-9-3-5-10(6-4-9)7-8-11-2;2*1-10-8-7-9-5-3-2-4-6-9;1-6(2)4-5-7-3/h2-9H2,1H3;3-8H2,1-2H3;2*2-8H2,1H3;4-5H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine?
2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine has a molecular weight of 705.13 g/mol, XLogP of 3.82, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(2-methoxyethyl)piperidine);1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 157327483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).