About 3-hexoxy-N,N-dimethylpropan-1-amine
3-hexoxy-N,N-dimethylpropan-1-amine (PubChem CID 58413519) has the molecular formula C11H25NO
and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-hexoxy-N,N-dimethylpropan-1-amine.
Molecular Properties
| Compound Name | 3-hexoxy-N,N-dimethylpropan-1-amine |
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| PubChem CID | 58413519 |
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| Molecular Formula | C11H25NO |
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| Molecular Weight | 187.33 g/mol |
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| Exact Mass | 187.19 |
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| IUPAC Name | 3-hexoxy-N,N-dimethylpropan-1-amine |
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| SMILES | CCCCCCOCCCN(C)C |
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| InChI | InChI=1S/C11H25NO/c1-4-5-6-7-10-13-11-8-9-12(2)3/h4-11H2,1-3H3 |
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| InChIKey | SGRZREULWVBDBU-UHFFFAOYSA-N |
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| XLogP | 2.54 |
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| TPSA | 12.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 187.33 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 3-hexoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-hexoxy-N,N-dimethylpropan-1-amine (CID 58413519) is 3-hexoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-hexoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-hexoxy-N,N-dimethylpropan-1-amine is CCCCCCOCCCN(C)C.
What is the InChIKey of 3-hexoxy-N,N-dimethylpropan-1-amine?
The InChIKey is SGRZREULWVBDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-7-10-13-11-8-9-12(2)3/h4-11H2,1-3H3.
What are the key properties of 3-hexoxy-N,N-dimethylpropan-1-amine?
3-hexoxy-N,N-dimethylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 58413519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).