N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine

C₁₄H₂₅NO — CID 115713361

About N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 115713361) has the molecular formula C₁₄H₂₅NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

• Compound Name: N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine
• PubChem CID: 115713361
• Molecular Formula: C₁₄H₂₅NO
• Molecular Weight: 223.36 g/mol
• Exact Mass: 223.19
• IUPAC Name: N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine
• SMILES: CC(NCC1CC=CCC1)C1CCOCC1
• InChI: InChI=1S/C14H25NO/c1-12(14-7-9-16-10-8-14)15-11-13-5-3-2-4-6-13/h2-3,12-15H,4-11H2,1H3
• InChIKey: PEIJTLDLDXXSJL-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.36
LogP ≤ 5	2.75
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-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?

The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine (CID 115713361) is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine.

What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?

The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine is CC(NCC1CC=CCC1)C1CCOCC1.

What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?

The InChIKey is PEIJTLDLDXXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(14-7-9-16-10-8-14)15-11-13-5-3-2-4-6-13/h2-3,12-15H,4-11H2,1H3.

What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?

N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115713361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115713361 — identifiers, structure, computed properties (public domain)

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