N-(5-aminopentyl)-N-methyloxolane-3-carboxamide

C₁₁H₂₂N₂O₂ — CID 107206578

About N-(5-aminopentyl)-N-methyloxolane-3-carboxamide

N-(5-aminopentyl)-N-methyloxolane-3-carboxamide (PubChem CID 107206578) has the molecular formula C₁₁H₂₂N₂O₂ and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
• PubChem CID: 107206578
• Molecular Formula: C₁₁H₂₂N₂O₂
• Molecular Weight: 214.31 g/mol
• Exact Mass: 214.17
• IUPAC Name: N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
• SMILES: CN(CCCCCN)C(=O)C1CCOC1
• InChI: InChI=1S/C11H22N2O2/c1-13(7-4-2-3-6-12)11(14)10-5-8-15-9-10/h10H,2-9,12H2,1H3
• InChIKey: XVPUPALRHIHNMH-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.31
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-methyloxolane-3-carboxamide?

The IUPAC name of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide (CID 107206578) is N-(5-aminopentyl)-N-methyloxolane-3-carboxamide.

What is the SMILES notation for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?

The canonical SMILES for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide is CN(CCCCCN)C(=O)C1CCOC1.

What is the InChIKey of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?

The InChIKey is XVPUPALRHIHNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(7-4-2-3-6-12)11(14)10-5-8-15-9-10/h10H,2-9,12H2,1H3.

What are the key properties of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?

N-(5-aminopentyl)-N-methyloxolane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 107206578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107206578 — identifiers, structure, computed properties (public domain)

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