4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine

C₁₀H₂₀N₄ — CID 66150121

About 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine

4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine (PubChem CID 66150121) has the molecular formula C₁₀H₂₀N₄ and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine.

Molecular Properties

• Compound Name: 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
• PubChem CID: 66150121
• Molecular Formula: C₁₀H₂₀N₄
• Molecular Weight: 196.30 g/mol
• Exact Mass: 196.17
• IUPAC Name: 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
• SMILES: CN(C)CCCCn1cncc1CN
• InChI: InChI=1S/C10H20N4/c1-13(2)5-3-4-6-14-9-12-8-10(14)7-11/h8-9H,3-7,11H2,1-2H3
• InChIKey: ZIAYHJOJXFBRNE-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 47.08 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	196.30
LogP ≤ 5	0.68
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 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?

The IUPAC name of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine (CID 66150121) is 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine.

What is the SMILES notation for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?

The canonical SMILES for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine is CN(C)CCCCn1cncc1CN.

What is the InChIKey of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?

The InChIKey is ZIAYHJOJXFBRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-13(2)5-3-4-6-14-9-12-8-10(14)7-11/h8-9H,3-7,11H2,1-2H3.

What are the key properties of 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine?

4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 66150121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66150121 — identifiers, structure, computed properties (public domain)

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