[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine

C₁₃H₂₂N₄ — CID 113430336

About [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine

[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 113430336) has the molecular formula C₁₃H₂₂N₄ and a molecular weight of 234.35 g/mol. Its IUPAC name is [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

• Compound Name: [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
• PubChem CID: 113430336
• Molecular Formula: C₁₃H₂₂N₄
• Molecular Weight: 234.35 g/mol
• Exact Mass: 234.18
• IUPAC Name: [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
• SMILES: Cn1cc(CN)c(N2CC3(CCCCC3)C2)n1
• InChI: InChI=1S/C13H22N4/c1-16-8-11(7-14)12(15-16)17-9-13(10-17)5-3-2-4-6-13/h8H,2-7,9-10,14H2,1H3
• InChIKey: NXUJZKBQUQFBLV-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 47.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.35
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?

The IUPAC name of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine (CID 113430336) is [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine.

What is the SMILES notation for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?

The canonical SMILES for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine is Cn1cc(CN)c(N2CC3(CCCCC3)C2)n1.

What is the InChIKey of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?

The InChIKey is NXUJZKBQUQFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-8-11(7-14)12(15-16)17-9-13(10-17)5-3-2-4-6-13/h8H,2-7,9-10,14H2,1H3.

What are the key properties of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?

[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 113430336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113430336 — identifiers, structure, computed properties (public domain)

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