N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C₁₃H₂₄N₂O — CID 107206663

About N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 107206663) has the molecular formula C₁₃H₂₄N₂O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 107206663
• Molecular Formula: C₁₃H₂₄N₂O
• Molecular Weight: 224.35 g/mol
• Exact Mass: 224.19
• IUPAC Name: N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
• SMILES: CN(CCCCCN)C(=O)C1C2CCCC21
• InChI: InChI=1S/C13H24N2O/c1-15(9-4-2-3-8-14)13(16)12-10-6-5-7-11(10)12/h10-12H,2-9,14H2,1H3
• InChIKey: LMXMRUFASCKFPY-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.35
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 107206663) is N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(CCCCCN)C(=O)C1C2CCCC21.

What is the InChIKey of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is LMXMRUFASCKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(9-4-2-3-8-14)13(16)12-10-6-5-7-11(10)12/h10-12H,2-9,14H2,1H3.

What are the key properties of N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?

N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 107206663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107206663 — identifiers, structure, computed properties (public domain)

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