4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline

C38H48N2 — CID 18976753

About 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline

4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline (PubChem CID 18976753) has the molecular formula C38H48N2 and a molecular weight of 532.82 g/mol. Its IUPAC name is 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline.

Molecular Properties

• Compound Name: 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
• PubChem CID: 18976753
• Molecular Formula: C38H48N2
• Molecular Weight: 532.82 g/mol
• Exact Mass: 532.38
• IUPAC Name: 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
• SMILES: CCCCC(c1ccc(N)cc1)c1ccc(CC(CC)c2ccc(C(CCCC)c3ccc(N)cc3)cc2)cc1
• InChI: InChI=1S/C38H48N2/c1-4-7-9-37(33-19-23-35(39)24-20-33)31-13-11-28(12-14-31)27-29(6-3)30-15-17-32(18-16-30)38(10-8-5-2)34-21-25-36(40)26-22-34/h11-26,29,37-38H,4-10,27,39-40H2,1-3H3
• InChIKey: INYYSCFOSPRKKF-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.82
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline?

The IUPAC name of 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline (CID 18976753) is 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline.

What is the SMILES notation for 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline?

The canonical SMILES for 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline is CCCCC(c1ccc(N)cc1)c1ccc(CC(CC)c2ccc(C(CCCC)c3ccc(N)cc3)cc2)cc1.

What is the InChIKey of 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline?

The InChIKey is INYYSCFOSPRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N2/c1-4-7-9-37(33-19-23-35(39)24-20-33)31-13-11-28(12-14-31)27-29(6-3)30-15-17-32(18-16-30)38(10-8-5-2)34-21-25-36(40)26-22-34/h11-26,29,37-38H,4-10,27,39-40H2,1-3H3.

What are the key properties of 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline?

4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline has a molecular weight of 532.82 g/mol, XLogP of 10.23, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline is sourced from PubChem (CID 18976753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).