(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine

C₁₂H₁₆N₂ — CID 130909450

About (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine

(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine (PubChem CID 130909450) has the molecular formula C₁₂H₁₆N₂ and a molecular weight of 188.27 g/mol. Its IUPAC name is (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine.

Molecular Properties

• Compound Name: (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
• PubChem CID: 130909450
• Molecular Formula: C₁₂H₁₆N₂
• Molecular Weight: 188.27 g/mol
• Exact Mass: 188.13
• IUPAC Name: (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine
• SMILES: Nc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2
• InChI: InChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2/t9-,11-/m0/s1
• InChIKey: KJPSTPLYLNVOAA-ONGXEEELSA-N
• XLogP: 2.72
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.27
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?

The IUPAC name of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine (CID 130909450) is (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine.

What is the SMILES notation for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?

The canonical SMILES for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine is Nc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2.

What is the InChIKey of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?

The InChIKey is KJPSTPLYLNVOAA-ONGXEEELSA-N. The full InChI is InChI=1S/C12H16N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4,13H2/t9-,11-/m0/s1.

What are the key properties of (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine?

(4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine has a molecular weight of 188.27 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4bS,8aS)-5,6,7,8,8a,9-hexahydro-4bH-carbazol-3-amine is sourced from PubChem (CID 130909450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130909450 — identifiers, structure, computed properties (public domain)

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