About benzyl-dimethyl-octylazanium chloride
benzyl-dimethyl-octylazanium chloride (PubChem CID 13740) has the molecular formula C17H30ClN
and a molecular weight of 283.89 g/mol. Its IUPAC name is benzyl-dimethyl-octylazanium chloride.
Molecular Properties
| Compound Name | benzyl-dimethyl-octylazanium chloride |
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| PubChem CID | 13740 |
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| Molecular Formula | C17H30ClN |
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| Molecular Weight | 283.89 g/mol |
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| Exact Mass | 283.21 |
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| IUPAC Name | benzyl-dimethyl-octylazanium chloride |
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| SMILES | CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] |
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| InChI | InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1 |
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| InChIKey | PXFDQFDPXWHEEP-UHFFFAOYSA-M |
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| XLogP | 1.63 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 283.89 |
| LogP ≤ 5 | 1.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of benzyl-dimethyl-octylazanium chloride?
The IUPAC name of benzyl-dimethyl-octylazanium chloride (CID 13740) is benzyl-dimethyl-octylazanium chloride.
What is the SMILES notation for benzyl-dimethyl-octylazanium chloride?
The canonical SMILES for benzyl-dimethyl-octylazanium chloride is CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-dimethyl-octylazanium chloride?
The InChIKey is PXFDQFDPXWHEEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl-dimethyl-octylazanium chloride?
benzyl-dimethyl-octylazanium chloride has a molecular weight of 283.89 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-octylazanium chloride is sourced from PubChem (CID 13740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).