1-(3,4-dimethylpiperazin-1-yl)butan-1-imine

C₁₀H₂₁N₃ — CID 63603592

About 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine

1-(3,4-dimethylpiperazin-1-yl)butan-1-imine (PubChem CID 63603592) has the molecular formula C₁₀H₂₁N₃ and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine.

Molecular Properties

• Compound Name: 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
• PubChem CID: 63603592
• Molecular Formula: C₁₀H₂₁N₃
• Molecular Weight: 183.30 g/mol
• Exact Mass: 183.17
• IUPAC Name: 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
• SMILES: [H]/N=C(\CCC)N1CCN(C)C(C)C1
• InChI: InChI=1S/C10H21N3/c1-4-5-10(11)13-7-6-12(3)9(2)8-13/h9,11H,4-8H2,1-3H3/b11-10+
• InChIKey: DJFHNGAKXYHIFM-ZHACJKMWSA-N
• XLogP: 1.40
• TPSA: 30.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.30
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?

The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine (CID 63603592) is 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine.

What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?

The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCN(C)C(C)C1.

What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?

The InChIKey is DJFHNGAKXYHIFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-5-10(11)13-7-6-12(3)9(2)8-13/h9,11H,4-8H2,1-3H3/b11-10+.

What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine?

1-(3,4-dimethylpiperazin-1-yl)butan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 63603592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63603592 — identifiers, structure, computed properties (public domain)

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