N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide

C₁₄H₂₄N₂OS — CID 119499768

About N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide

N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide (PubChem CID 119499768) has the molecular formula C₁₄H₂₄N₂OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide.

Molecular Properties

• Compound Name: N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
• PubChem CID: 119499768
• Molecular Formula: C₁₄H₂₄N₂OS
• Molecular Weight: 268.43 g/mol
• Exact Mass: 268.16
• IUPAC Name: N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
• SMILES: Cc1cc(CCCC(=O)NCCC(C)N)c(C)s1
• InChI: InChI=1S/C14H24N2OS/c1-10(15)7-8-16-14(17)6-4-5-13-9-11(2)18-12(13)3/h9-10H,4-8,15H2,1-3H3,(H,16,17)
• InChIKey: GDJGYVJEKSFUBE-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.43
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?

The IUPAC name of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide (CID 119499768) is N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide.

What is the SMILES notation for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?

The canonical SMILES for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide is Cc1cc(CCCC(=O)NCCC(C)N)c(C)s1.

What is the InChIKey of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?

The InChIKey is GDJGYVJEKSFUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(15)7-8-16-14(17)6-4-5-13-9-11(2)18-12(13)3/h9-10H,4-8,15H2,1-3H3,(H,16,17).

What are the key properties of N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide?

N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide has a molecular weight of 268.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide is sourced from PubChem (CID 119499768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119499768 — identifiers, structure, computed properties (public domain)

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