N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine

C₁₁H₂₄N₄ — CID 63174383

About N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine

N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine (PubChem CID 63174383) has the molecular formula C₁₁H₂₄N₄ and a molecular weight of 212.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine
• PubChem CID: 63174383
• Molecular Formula: C₁₁H₂₄N₄
• Molecular Weight: 212.34 g/mol
• Exact Mass: 212.20
• IUPAC Name: N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine
• SMILES: [H]/N=C(\CC)N1CCN(CCN(C)C)CC1
• InChI: InChI=1S/C11H24N4/c1-4-11(12)15-9-7-14(8-10-15)6-5-13(2)3/h12H,4-10H2,1-3H3/b12-11+
• InChIKey: VKSWILARGUOZNW-VAWYXSNFSA-N
• XLogP: 0.55
• TPSA: 33.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.34
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine?

The IUPAC name of N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine (CID 63174383) is N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine.

What is the SMILES notation for N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine?

The canonical SMILES for N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine is [H]/N=C(\CC)N1CCN(CCN(C)C)CC1.

What is the InChIKey of N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine?

The InChIKey is VKSWILARGUOZNW-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-11(12)15-9-7-14(8-10-15)6-5-13(2)3/h12H,4-10H2,1-3H3/b12-11+.

What are the key properties of N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine?

N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63174383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63174383 — identifiers, structure, computed properties (public domain)

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