(E)-4-(oxan-4-yl)but-3-en-1-amine

C₉H₁₇NO — CID 63968644

About (E)-4-(oxan-4-yl)but-3-en-1-amine

(E)-4-(oxan-4-yl)but-3-en-1-amine (PubChem CID 63968644) has the molecular formula C₉H₁₇NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(oxan-4-yl)but-3-en-1-amine.

Molecular Properties

• Compound Name: (E)-4-(oxan-4-yl)but-3-en-1-amine
• PubChem CID: 63968644
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24 g/mol
• Exact Mass: 155.13
• IUPAC Name: (E)-4-(oxan-4-yl)but-3-en-1-amine
• SMILES: NCC/C=C/C1CCOCC1
• InChI: InChI=1S/C9H17NO/c10-6-2-1-3-9-4-7-11-8-5-9/h1,3,9H,2,4-8,10H2/b3-1+
• InChIKey: YNQVJIYEEBMARN-HNQUOIGGSA-N
• XLogP: 1.32
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.24
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-4-(oxan-4-yl)but-3-en-1-amine?

The IUPAC name of (E)-4-(oxan-4-yl)but-3-en-1-amine (CID 63968644) is (E)-4-(oxan-4-yl)but-3-en-1-amine.

What is the SMILES notation for (E)-4-(oxan-4-yl)but-3-en-1-amine?

The canonical SMILES for (E)-4-(oxan-4-yl)but-3-en-1-amine is NCC/C=C/C1CCOCC1.

What is the InChIKey of (E)-4-(oxan-4-yl)but-3-en-1-amine?

The InChIKey is YNQVJIYEEBMARN-HNQUOIGGSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-2-1-3-9-4-7-11-8-5-9/h1,3,9H,2,4-8,10H2/b3-1+.

What are the key properties of (E)-4-(oxan-4-yl)but-3-en-1-amine?

(E)-4-(oxan-4-yl)but-3-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-(oxan-4-yl)but-3-en-1-amine is sourced from PubChem (CID 63968644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63968644 — identifiers, structure, computed properties (public domain)

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