N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine

C₁₅H₂₈N₂O — CID 63965893

About N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63965893) has the molecular formula C₁₅H₂₈N₂O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

• Compound Name: N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
• PubChem CID: 63965893
• Molecular Formula: C₁₅H₂₈N₂O
• Molecular Weight: 252.40 g/mol
• Exact Mass: 252.22
• IUPAC Name: N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine
• SMILES: CCNCc1oc(CN(C)C(C)(C)CC)cc1C
• InChI: InChI=1S/C15H28N2O/c1-7-15(4,5)17(6)11-13-9-12(3)14(18-13)10-16-8-2/h9,16H,7-8,10-11H2,1-6H3
• InChIKey: WFMIBKNSHLPJCP-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 28.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.40
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?

The IUPAC name of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine (CID 63965893) is N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine.

What is the SMILES notation for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?

The canonical SMILES for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine is CCNCc1oc(CN(C)C(C)(C)CC)cc1C.

What is the InChIKey of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?

The InChIKey is WFMIBKNSHLPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-15(4,5)17(6)11-13-9-12(3)14(18-13)10-16-8-2/h9,16H,7-8,10-11H2,1-6H3.

What are the key properties of N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine?

N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 63965893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63965893 — identifiers, structure, computed properties (public domain)

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