1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

C₁₃H₂₅NO₂ — CID 102648105

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (PubChem CID 102648105) has the molecular formula C₁₃H₂₅NO₂ and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
• PubChem CID: 102648105
• Molecular Formula: C₁₃H₂₅NO₂
• Molecular Weight: 227.35 g/mol
• Exact Mass: 227.19
• IUPAC Name: 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
• SMILES: CCC(CC)(OC)C(NC)C1=CCCCO1
• InChI: InChI=1S/C13H25NO2/c1-5-13(6-2,15-4)12(14-3)11-9-7-8-10-16-11/h9,12,14H,5-8,10H2,1-4H3
• InChIKey: JYVCDHGGOWWSST-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	227.35
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?

The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine (CID 102648105) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine.

What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?

The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is CCC(CC)(OC)C(NC)C1=CCCCO1.

What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?

The InChIKey is JYVCDHGGOWWSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(6-2,15-4)12(14-3)11-9-7-8-10-16-11/h9,12,14H,5-8,10H2,1-4H3.

What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine?

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 102648105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102648105 — identifiers, structure, computed properties (public domain)

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