2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine

C₁₇H₃₁NO₃ — CID 115942837

About 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 115942837) has the molecular formula C₁₇H₃₁NO₃ and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
• PubChem CID: 115942837
• Molecular Formula: C₁₇H₃₁NO₃
• Molecular Weight: 297.44 g/mol
• Exact Mass: 297.23
• IUPAC Name: 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
• SMILES: Cc1oc(CNC(C)(C)C)cc1COCCOC(C)(C)C
• InChI: InChI=1S/C17H31NO3/c1-13-14(12-19-8-9-20-17(5,6)7)10-15(21-13)11-18-16(2,3)4/h10,18H,8-9,11-12H2,1-7H3
• InChIKey: KJHSASNGRSVKQE-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 43.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.44
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine (CID 115942837) is 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine is Cc1oc(CNC(C)(C)C)cc1COCCOC(C)(C)C.

What is the InChIKey of 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine?

The InChIKey is KJHSASNGRSVKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13-14(12-19-8-9-20-17(5,6)7)10-15(21-13)11-18-16(2,3)4/h10,18H,8-9,11-12H2,1-7H3.

What are the key properties of 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine?

2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 115942837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115942837 — identifiers, structure, computed properties (public domain)

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