(3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine

C₁₂H₂₀N₄ — CID 165119534

About (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine

(3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine (PubChem CID 165119534) has the molecular formula C₁₂H₂₀N₄ and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine.

Molecular Properties

• Compound Name: (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
• PubChem CID: 165119534
• Molecular Formula: C₁₂H₂₀N₄
• Molecular Weight: 220.32 g/mol
• Exact Mass: 220.17
• IUPAC Name: (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
• SMILES: [H]/N=C/C=C\C(=N/[H])N1CCC[C@@H](NC2CC2)C1
• InChI: InChI=1S/C12H20N4/c13-7-1-4-12(14)16-8-2-3-11(9-16)15-10-5-6-10/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+/t11-/m1/s1
• InChIKey: KQVICRDAGCKPMC-KPSWNXGASA-N
• XLogP: 1.39
• TPSA: 62.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.32
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	3
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 (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?

The IUPAC name of (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine (CID 165119534) is (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine.

What is the SMILES notation for (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?

The canonical SMILES for (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine is [H]/N=C/C=C\C(=N/[H])N1CCC[C@@H](NC2CC2)C1.

What is the InChIKey of (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?

The InChIKey is KQVICRDAGCKPMC-KPSWNXGASA-N. The full InChI is InChI=1S/C12H20N4/c13-7-1-4-12(14)16-8-2-3-11(9-16)15-10-5-6-10/h1,4,7,10-11,13-15H,2-3,5-6,8-9H2/b4-1-,13-7+,14-12+/t11-/m1/s1.

What are the key properties of (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine?

(3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine is sourced from PubChem (CID 165119534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 165119534 — identifiers, structure, computed properties (public domain)

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