N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine

C₁₁H₁₇N₃ — CID 83829902

About N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine

N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine (PubChem CID 83829902) has the molecular formula C₁₁H₁₇N₃ and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine
• PubChem CID: 83829902
• Molecular Formula: C₁₁H₁₇N₃
• Molecular Weight: 191.28 g/mol
• Exact Mass: 191.14
• IUPAC Name: N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine
• SMILES: NCCCNc1ccnc2c1CCC2
• InChI: InChI=1S/C11H17N3/c12-6-2-7-13-11-5-8-14-10-4-1-3-9(10)11/h5,8H,1-4,6-7,12H2,(H,13,14)
• InChIKey: BANAPUAYQGGRNR-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.28
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
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 N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?

The IUPAC name of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine (CID 83829902) is N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine.

What is the SMILES notation for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?

The canonical SMILES for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine is NCCCNc1ccnc2c1CCC2.

What is the InChIKey of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?

The InChIKey is BANAPUAYQGGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-6-2-7-13-11-5-8-14-10-4-1-3-9(10)11/h5,8H,1-4,6-7,12H2,(H,13,14).

What are the key properties of N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine?

N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 83829902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83829902 — identifiers, structure, computed properties (public domain)

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