2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine

C₁₁H₂₀N₂ — CID 158427711

About 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine

2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine (PubChem CID 158427711) has the molecular formula C₁₁H₂₀N₂ and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
• PubChem CID: 158427711
• Molecular Formula: C₁₁H₂₀N₂
• Molecular Weight: 180.29 g/mol
• Exact Mass: 180.16
• IUPAC Name: 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine
• SMILES: CC(C)(C)NCCCC1=CCN=C1
• InChI: InChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,9,13H,4-5,7-8H2,1-3H3
• InChIKey: DCOXENJYVHSRAF-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.29
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine (CID 158427711) is 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine is CC(C)(C)NCCCC1=CCN=C1.

What is the InChIKey of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?

The InChIKey is DCOXENJYVHSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)13-7-4-5-10-6-8-12-9-10/h6,9,13H,4-5,7-8H2,1-3H3.

What are the key properties of 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine?

2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-(2H-pyrrol-4-yl)propyl]propan-2-amine is sourced from PubChem (CID 158427711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158427711 — identifiers, structure, computed properties (public domain)

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