N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

C₁₈H₂₂N₄S — CID 15951481

About N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide

N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15951481) has the molecular formula C₁₈H₂₂N₄S and a molecular weight of 326.47 g/mol. Its IUPAC name is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

• Compound Name: N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
• PubChem CID: 15951481
• Molecular Formula: C₁₈H₂₂N₄S
• Molecular Weight: 326.47 g/mol
• Exact Mass: 326.16
• IUPAC Name: N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide
• SMILES: CN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
• InChI: InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)
• InChIKey: GSWFTSBRUQGJAA-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 46.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.47
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?

The IUPAC name of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide (CID 15951481) is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide.

What is the SMILES notation for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?

The canonical SMILES for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is CN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.

What is the InChIKey of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?

The InChIKey is GSWFTSBRUQGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20).

What are the key properties of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide?

N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 326.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15951481 — identifiers, structure, computed properties (public domain)

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