2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine

C39H45NO3 — CID 118703699

About 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine

2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine (PubChem CID 118703699) has the molecular formula C39H45NO3 and a molecular weight of 575.79 g/mol. Its IUPAC name is 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine.

Molecular Properties

• Compound Name: 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine
• PubChem CID: 118703699
• Molecular Formula: C39H45NO3
• Molecular Weight: 575.79 g/mol
• Exact Mass: 575.34
• IUPAC Name: 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine
• SMILES: c1cc2c(c3c1CCO3)C(CCN(CCC1CCc3ccc4c(c31)CCO4)CCC1CCc3ccc4c(c31)CCO4)CC2
• InChI: InChI=1S/C39H45NO3/c1-4-28(36-25(1)9-11-34-32(36)17-23-41-34)13-19-40(20-14-29-5-2-26-10-12-35-33(37(26)29)18-24-42-35)21-15-30-6-3-27-7-8-31-16-22-43-39(31)38(27)30/h7-12,28-30H,1-6,13-24H2
• InChIKey: WRWLRQRJSNBPGC-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.79
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine?

The IUPAC name of 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine (CID 118703699) is 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine.

What is the SMILES notation for 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine?

The canonical SMILES for 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine is c1cc2c(c3c1CCO3)C(CCN(CCC1CCc3ccc4c(c31)CCO4)CCC1CCc3ccc4c(c31)CCO4)CC2.

What is the InChIKey of 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine?

The InChIKey is WRWLRQRJSNBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45NO3/c1-4-28(36-25(1)9-11-34-32(36)17-23-41-34)13-19-40(20-14-29-5-2-26-10-12-35-33(37(26)29)18-24-42-35)21-15-30-6-3-27-7-8-31-16-22-43-39(31)38(27)30/h7-12,28-30H,1-6,13-24H2.

What are the key properties of 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine?

2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine has a molecular weight of 575.79 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)-N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]-N-[2-(3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran-8-yl)ethyl]ethanamine is sourced from PubChem (CID 118703699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).