N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C₁₆H₂₉N₃ — CID 109451717

About N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451717) has the molecular formula C₁₆H₂₉N₃ and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

• Compound Name: N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
• PubChem CID: 109451717
• Molecular Formula: C₁₆H₂₉N₃
• Molecular Weight: 263.43 g/mol
• Exact Mass: 263.24
• IUPAC Name: N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
• SMILES: C/N=C(\NCCC1=CCCC1)N1CC(C)(C)C1(C)C
• InChI: InChI=1S/C16H29N3/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-10-13-8-6-7-9-13/h8H,6-7,9-12H2,1-5H3,(H,17,18)
• InChIKey: ZONGRAMNYWBIPD-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.43
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?

The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451717) is N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?

The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCC1=CCCC1)N1CC(C)(C)C1(C)C.

What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?

The InChIKey is ZONGRAMNYWBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-10-13-8-6-7-9-13/h8H,6-7,9-12H2,1-5H3,(H,17,18).

What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?

N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109451717 — identifiers, structure, computed properties (public domain)

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