N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline

C33H44N2 — CID 102088416

About N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline (PubChem CID 102088416) has the molecular formula C33H44N2 and a molecular weight of 468.73 g/mol. Its IUPAC name is N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 102088416
• Molecular Formula: C33H44N2
• Molecular Weight: 468.73 g/mol
• Exact Mass: 468.35
• IUPAC Name: N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C(/CNc1c(C(C)C)cccc1C(C)C)Cc1ccccc1
• InChI: InChI=1S/C33H44N2/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-21-27(20-26-14-10-9-11-15-26)35-33-30(24(5)6)18-13-19-31(33)25(7)8/h9-19,22-25,34H,20-21H2,1-8H3/b35-27+
• InChIKey: WNRZMEWORGOHFN-ROMHNNFLSA-N
• XLogP: 9.61
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.73
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline (CID 102088416) is N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1/N=C(/CNc1c(C(C)C)cccc1C(C)C)Cc1ccccc1.

What is the InChIKey of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is WNRZMEWORGOHFN-ROMHNNFLSA-N. The full InChI is InChI=1S/C33H44N2/c1-22(2)28-16-12-17-29(23(3)4)32(28)34-21-27(20-26-14-10-9-11-15-26)35-33-30(24(5)6)18-13-19-31(33)25(7)8/h9-19,22-25,34H,20-21H2,1-8H3/b35-27+.

What are the key properties of N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline?

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 468.73 g/mol, XLogP of 9.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102088416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).