2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine

C30H41N3O4S — CID 171639290

About 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine

2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 171639290) has the molecular formula C30H41N3O4S and a molecular weight of 539.74 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
• PubChem CID: 171639290
• Molecular Formula: C30H41N3O4S
• Molecular Weight: 539.74 g/mol
• Exact Mass: 539.28
• IUPAC Name: 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
• SMILES: CCn1c2ccc(CNCCOCCOCCOCCOCCNC)cc2c2ccc(-c3cccs3)cc21
• InChI: InChI=1S/C30H41N3O4S/c1-3-33-28-9-6-24(21-27(28)26-8-7-25(22-29(26)33)30-5-4-20-38-30)23-32-11-13-35-15-17-37-19-18-36-16-14-34-12-10-31-2/h4-9,20-22,31-32H,3,10-19,23H2,1-2H3
• InChIKey: NUZJWYYDSCMTGZ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 65.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.74
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?

The IUPAC name of 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 171639290) is 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine.

What is the SMILES notation for 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?

The canonical SMILES for 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine is CCn1c2ccc(CNCCOCCOCCOCCOCCNC)cc2c2ccc(-c3cccs3)cc21.

What is the InChIKey of 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?

The InChIKey is NUZJWYYDSCMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4S/c1-3-33-28-9-6-24(21-27(28)26-8-7-25(22-29(26)33)30-5-4-20-38-30)23-32-11-13-35-15-17-37-19-18-36-16-14-34-12-10-31-2/h4-9,20-22,31-32H,3,10-19,23H2,1-2H3.

What are the key properties of 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?

2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 539.74 g/mol, XLogP of 4.92, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 171639290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).