N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C₁₇H₃₀N₂O₂ — CID 103340227

About N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103340227) has the molecular formula C₁₇H₃₀N₂O₂ and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
• PubChem CID: 103340227
• Molecular Formula: C₁₇H₃₀N₂O₂
• Molecular Weight: 294.44 g/mol
• Exact Mass: 294.23
• IUPAC Name: N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
• SMILES: C=CCN(CCOC)Cc1cc(CNCC(C)C)oc1C
• InChI: InChI=1S/C17H30N2O2/c1-6-7-19(8-9-20-5)13-16-10-17(21-15(16)4)12-18-11-14(2)3/h6,10,14,18H,1,7-9,11-13H2,2-5H3
• InChIKey: RTEMDSCRCFJSHL-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 37.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.44
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?

The IUPAC name of N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 103340227) is N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

What is the SMILES notation for N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?

The canonical SMILES for N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is C=CCN(CCOC)Cc1cc(CNCC(C)C)oc1C.

What is the InChIKey of N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?

The InChIKey is RTEMDSCRCFJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-7-19(8-9-20-5)13-16-10-17(21-15(16)4)12-18-11-14(2)3/h6,10,14,18H,1,7-9,11-13H2,2-5H3.

What are the key properties of N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?

N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103340227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103340227 — identifiers, structure, computed properties (public domain)

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