N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide

C₁₁H₁₉N₃O — CID 63732838

About N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide

N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 63732838) has the molecular formula C₁₁H₁₉N₃O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
• PubChem CID: 63732838
• Molecular Formula: C₁₁H₁₉N₃O
• Molecular Weight: 209.29 g/mol
• Exact Mass: 209.15
• IUPAC Name: N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
• SMILES: CCC(N)CNC(=O)c1ccc(C)n1C
• InChI: InChI=1S/C11H19N3O/c1-4-9(12)7-13-11(15)10-6-5-8(2)14(10)3/h5-6,9H,4,7,12H2,1-3H3,(H,13,15)
• InChIKey: BIUUVEIKDQGXKS-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 60.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.29
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?

The IUPAC name of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide (CID 63732838) is N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide.

What is the SMILES notation for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?

The canonical SMILES for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide is CCC(N)CNC(=O)c1ccc(C)n1C.

What is the InChIKey of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?

The InChIKey is BIUUVEIKDQGXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-9(12)7-13-11(15)10-6-5-8(2)14(10)3/h5-6,9H,4,7,12H2,1-3H3,(H,13,15).

What are the key properties of N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide?

N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 63732838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63732838 — identifiers, structure, computed properties (public domain)

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