About 9-cyclopentylcarbazol-3-amine
9-cyclopentylcarbazol-3-amine (PubChem CID 150164396) has the molecular formula C17H18N2
and a molecular weight of 250.35 g/mol. Its IUPAC name is 9-cyclopentylcarbazol-3-amine.
Molecular Properties
| Compound Name | 9-cyclopentylcarbazol-3-amine |
| PubChem CID | 150164396 |
| Molecular Formula | C17H18N2 |
| Molecular Weight | 250.35 g/mol |
| Exact Mass | 250.15 |
| IUPAC Name | 9-cyclopentylcarbazol-3-amine |
| SMILES | Nc1ccc2c(c1)c1ccccc1n2C1CCCC1 |
| InChI | InChI=1S/C17H18N2/c18-12-9-10-17-15(11-12)14-7-3-4-8-16(14)19(17)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,18H2 |
| InChIKey | FICCBNJSAWBAMF-UHFFFAOYSA-N |
| XLogP | 4.49 |
| TPSA | 30.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 250.35 |
| LogP ≤ 5 | 4.49 |
| H-Bond Donors ≤ 5 | 1 |
| 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 9-cyclopentylcarbazol-3-amine?
The IUPAC name of 9-cyclopentylcarbazol-3-amine (CID 150164396) is 9-cyclopentylcarbazol-3-amine.
What is the SMILES notation for 9-cyclopentylcarbazol-3-amine?
The canonical SMILES for 9-cyclopentylcarbazol-3-amine is Nc1ccc2c(c1)c1ccccc1n2C1CCCC1.
What is the InChIKey of 9-cyclopentylcarbazol-3-amine?
The InChIKey is FICCBNJSAWBAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-12-9-10-17-15(11-12)14-7-3-4-8-16(14)19(17)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,18H2.
What are the key properties of 9-cyclopentylcarbazol-3-amine?
9-cyclopentylcarbazol-3-amine has a molecular weight of 250.35 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentylcarbazol-3-amine is sourced from PubChem (CID 150164396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).