(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

C₂₇H₃₁N₃ — CID 159311792

About (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 159311792) has the molecular formula C₂₇H₃₁N₃ and a molecular weight of 397.57 g/mol. Its IUPAC name is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 159311792
• Molecular Formula: C₂₇H₃₁N₃
• Molecular Weight: 397.57 g/mol
• Exact Mass: 397.25
• IUPAC Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CCCCCN(Cc1nccc2c1Cc1ccccc1-2)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C27H31N3/c1-2-3-6-17-30(26-13-7-10-20-11-8-15-29-27(20)26)19-25-24-18-21-9-4-5-12-22(21)23(24)14-16-28-25/h4-5,8-9,11-12,14-16,26H,2-3,6-7,10,13,17-19H2,1H3/t26-/m0/s1
• InChIKey: NPYFUNHJFZPZLS-SANMLTNESA-N
• XLogP: 6.12
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.57
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 159311792) is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCCCN(Cc1nccc2c1Cc1ccccc1-2)[C@H]1CCCc2cccnc21.

What is the InChIKey of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is NPYFUNHJFZPZLS-SANMLTNESA-N. The full InChI is InChI=1S/C27H31N3/c1-2-3-6-17-30(26-13-7-10-20-11-8-15-29-27(20)26)19-25-24-18-21-9-4-5-12-22(21)23(24)14-16-28-25/h4-5,8-9,11-12,14-16,26H,2-3,6-7,10,13,17-19H2,1H3/t26-/m0/s1.

What are the key properties of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 397.57 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 159311792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159311792 — identifiers, structure, computed properties (public domain)

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