N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine

C48H68N6 — CID 167175501

About N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine

N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine (PubChem CID 167175501) has the molecular formula C48H68N6 and a molecular weight of 729.11 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine.

Molecular Properties

• Compound Name: N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine
• PubChem CID: 167175501
• Molecular Formula: C48H68N6
• Molecular Weight: 729.11 g/mol
• Exact Mass: 728.55
• IUPAC Name: N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine
• SMILES: CCCN(CC)CCc1cn(CCN(CCC)CCc2c[nH]c3c(CCN(CCC)CCc4c(C)[nH]c5ccccc45)c(C)ccc23)c2cccc(C)c12
• InChI: InChI=1S/C48H68N6/c1-8-25-51(11-4)28-22-40-35-54(46-18-14-15-37(6)47(40)46)33-32-53(27-10-3)29-21-39-34-49-48-41(36(5)19-20-43(39)48)23-30-52(26-9-2)31-24-42-38(7)50-45-17-13-12-16-44(42)45/h12-20,34-35,49-50H,8-11,21-33H2,1-7H3
• InChIKey: XJTZQZNLGHXPOF-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 46.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.11
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine?

The IUPAC name of N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine (CID 167175501) is N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine.

What is the SMILES notation for N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine?

The canonical SMILES for N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine is CCCN(CC)CCc1cn(CCN(CCC)CCc2c[nH]c3c(CCN(CCC)CCc4c(C)[nH]c5ccccc45)c(C)ccc23)c2cccc(C)c12.

What is the InChIKey of N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine?

The InChIKey is XJTZQZNLGHXPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H68N6/c1-8-25-51(11-4)28-22-40-35-54(46-18-14-15-37(6)47(40)46)33-32-53(27-10-3)29-21-39-34-49-48-41(36(5)19-20-43(39)48)23-30-52(26-9-2)31-24-42-38(7)50-45-17-13-12-16-44(42)45/h12-20,34-35,49-50H,8-11,21-33H2,1-7H3.

What are the key properties of N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine?

N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine has a molecular weight of 729.11 g/mol, XLogP of 10.26, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[2-[4-methyl-1-[2-[2-[6-methyl-7-[2-[2-(2-methyl-1H-indol-3-yl)ethyl-propylamino]ethyl]-1H-indol-3-yl]ethyl-propylamino]ethyl]indol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 167175501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).