Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine

C₁₂H₂₅NO₂ — CID 163257855

About Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine

Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 163257855) has the molecular formula C₁₂H₂₅NO₂ and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

• Compound Name: Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
• PubChem CID: 163257855
• Molecular Formula: C₁₂H₂₅NO₂
• Molecular Weight: 215.34 g/mol
• Exact Mass: 215.19
• IUPAC Name: ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine
• SMILES: CC.COCCOCN1CC=C(C)CC1
• InChI: InChI=1S/C10H19NO2.C2H6/c1-10-3-5-11(6-4-10)9-13-8-7-12-2;1-2/h3H,4-9H2,1-2H3;1-2H3
• InChIKey: MYJWHWVMTMXESN-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.34
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine?

The IUPAC name of Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 163257855) is ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine.

What is the SMILES notation for Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine?

The canonical SMILES for Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine is CC.COCCOCN1CC=C(C)CC1.

What is the InChIKey of Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine?

The InChIKey is MYJWHWVMTMXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-10-3-5-11(6-4-10)9-13-8-7-12-2;1-2/h3H,4-9H2,1-2H3;1-2H3.

What are the key properties of Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine?

Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 215.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;1-(2-methoxyethoxymethyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 163257855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163257855 — identifiers, structure, computed properties (public domain)

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