1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

C₁₄H₂₆N₂O — CID 113437043

About 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine

1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 113437043) has the molecular formula C₁₄H₂₆N₂O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
• PubChem CID: 113437043
• Molecular Formula: C₁₄H₂₆N₂O
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.20
• IUPAC Name: 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
• SMILES: CNC(c1ccn(CCCCOC)c1)C(C)C
• InChI: InChI=1S/C14H26N2O/c1-12(2)14(15-3)13-7-9-16(11-13)8-5-6-10-17-4/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3
• InChIKey: GFVJNWDPSAQCQU-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 26.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.37
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
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 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?

The IUPAC name of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine (CID 113437043) is 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

What is the SMILES notation for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?

The canonical SMILES for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccn(CCCCOC)c1)C(C)C.

What is the InChIKey of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?

The InChIKey is GFVJNWDPSAQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)14(15-3)13-7-9-16(11-13)8-5-6-10-17-4/h7,9,11-12,14-15H,5-6,8,10H2,1-4H3.

What are the key properties of 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine?

1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 113437043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113437043 — identifiers, structure, computed properties (public domain)

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