About 1,2,3,4-tetrahydroisoquinolin-8-amine
1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 20523209) has the molecular formula C9H12N2
and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-8-amine.
Molecular Properties
| Compound Name | 1,2,3,4-tetrahydroisoquinolin-8-amine |
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| PubChem CID | 20523209 |
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| Molecular Formula | C9H12N2 |
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| Molecular Weight | 148.21 g/mol |
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| Exact Mass | 148.10 |
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| IUPAC Name | 1,2,3,4-tetrahydroisoquinolin-8-amine |
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| SMILES | Nc1cccc2c1CNCC2 |
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| InChI | InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2 |
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| InChIKey | GIIQUGGTGRRQEN-UHFFFAOYSA-N |
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| XLogP | 0.91 |
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| TPSA | 38.05 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 148.21 |
| LogP ≤ 5 | 0.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-8-amine (CID 20523209) is 1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-8-amine is Nc1cccc2c1CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is GIIQUGGTGRRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-8-amine?
1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 148.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 20523209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).