4-propan-2-yliminopent-2-en-2-amine

C₈H₁₆N₂ — CID 149199949

About 4-propan-2-yliminopent-2-en-2-amine

4-propan-2-yliminopent-2-en-2-amine (PubChem CID 149199949) has the molecular formula C₈H₁₆N₂ and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

• Compound Name: 4-propan-2-yliminopent-2-en-2-amine
• PubChem CID: 149199949
• Molecular Formula: C₈H₁₆N₂
• Molecular Weight: 140.23 g/mol
• Exact Mass: 140.13
• IUPAC Name: 4-propan-2-yliminopent-2-en-2-amine
• SMILES: CC(N)=C/C(C)=N/C(C)C
• InChI: InChI=1S/C8H16N2/c1-6(2)10-8(4)5-7(3)9/h5-6H,9H2,1-4H3/b7-5?,10-8+
• InChIKey: UQRBPZRKQJILNX-QSKBLMOKSA-N
• XLogP: 1.72
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.23
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yliminopent-2-en-2-amine?

The IUPAC name of 4-propan-2-yliminopent-2-en-2-amine (CID 149199949) is 4-propan-2-yliminopent-2-en-2-amine.

What is the SMILES notation for 4-propan-2-yliminopent-2-en-2-amine?

The canonical SMILES for 4-propan-2-yliminopent-2-en-2-amine is CC(N)=C/C(C)=N/C(C)C.

What is the InChIKey of 4-propan-2-yliminopent-2-en-2-amine?

The InChIKey is UQRBPZRKQJILNX-QSKBLMOKSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)10-8(4)5-7(3)9/h5-6H,9H2,1-4H3/b7-5?,10-8+.

What are the key properties of 4-propan-2-yliminopent-2-en-2-amine?

4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 149199949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 149199949 — identifiers, structure, computed properties (public domain)

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