5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine

C₁₀H₁₉N₃S — CID 103090206

About 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine

5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine (PubChem CID 103090206) has the molecular formula C₁₀H₁₉N₃S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine.

Molecular Properties

• Compound Name: 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
• PubChem CID: 103090206
• Molecular Formula: C₁₀H₁₉N₃S
• Molecular Weight: 213.35 g/mol
• Exact Mass: 213.13
• IUPAC Name: 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
• SMILES: CCCn1cnc(CCCSC)c1N
• InChI: InChI=1S/C10H19N3S/c1-3-6-13-8-12-9(10(13)11)5-4-7-14-2/h8H,3-7,11H2,1-2H3
• InChIKey: WSSSGMWHWPEMJS-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 43.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.35
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?

The IUPAC name of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine (CID 103090206) is 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine.

What is the SMILES notation for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?

The canonical SMILES for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine is CCCn1cnc(CCCSC)c1N.

What is the InChIKey of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?

The InChIKey is WSSSGMWHWPEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-6-13-8-12-9(10(13)11)5-4-7-14-2/h8H,3-7,11H2,1-2H3.

What are the key properties of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?

5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine has a molecular weight of 213.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 103090206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103090206 — identifiers, structure, computed properties (public domain)

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