N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine

C₁₆H₂₃N — CID 63078290

About N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine

N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine (PubChem CID 63078290) has the molecular formula C₁₆H₂₃N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine.

Molecular Properties

• Compound Name: N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
• PubChem CID: 63078290
• Molecular Formula: C₁₆H₂₃N
• Molecular Weight: 229.37 g/mol
• Exact Mass: 229.18
• IUPAC Name: N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
• SMILES: C=CCC(NCC)C1(c2ccccc2)CCC1
• InChI: InChI=1S/C16H23N/c1-3-9-15(17-4-2)16(12-8-13-16)14-10-6-5-7-11-14/h3,5-7,10-11,15,17H,1,4,8-9,12-13H2,2H3
• InChIKey: DVQPGDNUZLPCSO-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.37
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine?

The IUPAC name of N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine (CID 63078290) is N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine.

What is the SMILES notation for N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine?

The canonical SMILES for N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine is C=CCC(NCC)C1(c2ccccc2)CCC1.

What is the InChIKey of N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine?

The InChIKey is DVQPGDNUZLPCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-9-15(17-4-2)16(12-8-13-16)14-10-6-5-7-11-14/h3,5-7,10-11,15,17H,1,4,8-9,12-13H2,2H3.

What are the key properties of N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine?

N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine is sourced from PubChem (CID 63078290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63078290 — identifiers, structure, computed properties (public domain)

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