4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline

C44H60N2 — CID 22920190

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

4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline (PubChem CID 22920190) has the molecular formula C44H60N2 and a molecular weight of 616.98 g/mol. Its IUPAC name is 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline.

Molecular Properties

• Compound Name: 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
• PubChem CID: 22920190
• Molecular Formula: C44H60N2
• Molecular Weight: 616.98 g/mol
• Exact Mass: 616.48
• IUPAC Name: 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
• SMILES: CCCCCCCCCC(c1ccc(C(CCCC)c2ccc(N)cc2)cc1)c1ccc(C(CCCC)c2ccc(N)cc2)cc1
• InChI: InChI=1S/C44H60N2/c1-4-7-10-11-12-13-14-17-44(36-22-18-34(19-23-36)42(15-8-5-2)38-26-30-40(45)31-27-38)37-24-20-35(21-25-37)43(16-9-6-3)39-28-32-41(46)33-29-39/h18-33,42-44H,4-17,45-46H2,1-3H3
• InChIKey: YUNDWLXTQOAAJK-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.98
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline (CID 22920190) is 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline.

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

The canonical SMILES for 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline is CCCCCCCCCC(c1ccc(C(CCCC)c2ccc(N)cc2)cc1)c1ccc(C(CCCC)c2ccc(N)cc2)cc1.

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

The InChIKey is YUNDWLXTQOAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60N2/c1-4-7-10-11-12-13-14-17-44(36-22-18-34(19-23-36)42(15-8-5-2)38-26-30-40(45)31-27-38)37-24-20-35(21-25-37)43(16-9-6-3)39-28-32-41(46)33-29-39/h18-33,42-44H,4-17,45-46H2,1-3H3.

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

4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline has a molecular weight of 616.98 g/mol, XLogP of 12.77, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline is sourced from PubChem (CID 22920190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).