1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine

C₁₀H₁₄N₄O₂ — CID 65189039

About 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine

1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 65189039) has the molecular formula C₁₀H₁₄N₄O₂ and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
• PubChem CID: 65189039
• Molecular Formula: C₁₀H₁₄N₄O₂
• Molecular Weight: 222.25 g/mol
• Exact Mass: 222.11
• IUPAC Name: 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
• SMILES: NCC(Nc1ccc([N+](=O)[O-])nc1)C1CC1
• InChI: InChI=1S/C10H14N4O2/c11-5-9(7-1-2-7)13-8-3-4-10(12-6-8)14(15)16/h3-4,6-7,9,13H,1-2,5,11H2
• InChIKey: OVKIUIXBUNUWQG-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 94.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.25
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?

The IUPAC name of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine (CID 65189039) is 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine.

What is the SMILES notation for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?

The canonical SMILES for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine is NCC(Nc1ccc([N+](=O)[O-])nc1)C1CC1.

What is the InChIKey of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?

The InChIKey is OVKIUIXBUNUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-5-9(7-1-2-7)13-8-3-4-10(12-6-8)14(15)16/h3-4,6-7,9,13H,1-2,5,11H2.

What are the key properties of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?

1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 65189039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 65189039 — identifiers, structure, computed properties (public domain)

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