N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine

C16H26N2O2 — CID 114413543

About N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 114413543) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine
• PubChem CID: 114413543
• Molecular Formula: C16H26N2O2
• Molecular Weight: 278.40 g/mol
• Exact Mass: 278.20
• IUPAC Name: N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine
• SMILES: CCNCc1cc(CN2CC=C(COC)CC2)oc1C
• InChI: InChI=1S/C16H26N2O2/c1-4-17-10-15-9-16(20-13(15)2)11-18-7-5-14(6-8-18)12-19-3/h5,9,17H,4,6-8,10-12H2,1-3H3
• InChIKey: MEUOUXXYPPICMG-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 37.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.40
LogP ≤ 5	2.48
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-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine?

The IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine (CID 114413543) is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine.

What is the SMILES notation for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine?

The canonical SMILES for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(CN2CC=C(COC)CC2)oc1C.

What is the InChIKey of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine?

The InChIKey is MEUOUXXYPPICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-10-15-9-16(20-13(15)2)11-18-7-5-14(6-8-18)12-19-3/h5,9,17H,4,6-8,10-12H2,1-3H3.

What are the key properties of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine?

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 114413543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).