N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

C24H34N2O2 — CID 45195527

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 45195527) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
• PubChem CID: 45195527
• Molecular Formula: C24H34N2O2
• Molecular Weight: 382.55 g/mol
• Exact Mass: 382.26
• IUPAC Name: N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
• SMILES: COCCN(Cc1ccc(C)o1)CC1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C24H34N2O2/c1-19-9-10-24(28-19)18-25(12-13-27-2)16-20-6-5-11-26(17-20)23-14-21-7-3-4-8-22(21)15-23/h3-4,7-10,20,23H,5-6,11-18H2,1-2H3
• InChIKey: ZGHSYQGQTZQBJA-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?

The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 45195527) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.

What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?

The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is COCCN(Cc1ccc(C)o1)CC1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?

The InChIKey is ZGHSYQGQTZQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-19-9-10-24(28-19)18-25(12-13-27-2)16-20-6-5-11-26(17-20)23-14-21-7-3-4-8-22(21)15-23/h3-4,7-10,20,23H,5-6,11-18H2,1-2H3.

What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 382.55 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 45195527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).