N-methyl-2-(oxan-4-ylidene)ethanamine

C₈H₁₅NO — CID 115011419

About N-methyl-2-(oxan-4-ylidene)ethanamine

N-methyl-2-(oxan-4-ylidene)ethanamine (PubChem CID 115011419) has the molecular formula C₈H₁₅NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylidene)ethanamine.

Molecular Properties

• Compound Name: N-methyl-2-(oxan-4-ylidene)ethanamine
• PubChem CID: 115011419
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.21 g/mol
• Exact Mass: 141.12
• IUPAC Name: N-methyl-2-(oxan-4-ylidene)ethanamine
• SMILES: CNCC=C1CCOCC1
• InChI: InChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h2,9H,3-7H2,1H3
• InChIKey: URRGDESOKPFYCY-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 21.26 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	141.21
LogP ≤ 5	0.94
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 N-methyl-2-(oxan-4-ylidene)ethanamine?

The IUPAC name of N-methyl-2-(oxan-4-ylidene)ethanamine (CID 115011419) is N-methyl-2-(oxan-4-ylidene)ethanamine.

What is the SMILES notation for N-methyl-2-(oxan-4-ylidene)ethanamine?

The canonical SMILES for N-methyl-2-(oxan-4-ylidene)ethanamine is CNCC=C1CCOCC1.

What is the InChIKey of N-methyl-2-(oxan-4-ylidene)ethanamine?

The InChIKey is URRGDESOKPFYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-5-2-8-3-6-10-7-4-8/h2,9H,3-7H2,1H3.

What are the key properties of N-methyl-2-(oxan-4-ylidene)ethanamine?

N-methyl-2-(oxan-4-ylidene)ethanamine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-(oxan-4-ylidene)ethanamine is sourced from PubChem (CID 115011419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115011419 — identifiers, structure, computed properties (public domain)

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