N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline

C35H54N2 — CID 72959562

About N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline

N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline (PubChem CID 72959562) has the molecular formula C35H54N2 and a molecular weight of 502.83 g/mol. Its IUPAC name is N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 72959562
• Molecular Formula: C35H54N2
• Molecular Weight: 502.83 g/mol
• Exact Mass: 502.43
• IUPAC Name: N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C(/C=C(Nc1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C35H54N2/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8/h15-25,36H,1-14H3/b30-21?,37-31-
• InChIKey: MDNGJUJMYSJZML-WLJQPICRSA-N
• XLogP: 11.34
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.83
LogP ≤ 5	11.34
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-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline (CID 72959562) is N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1/N=C(/C=C(Nc1c(C(C)C)cccc1C(C)C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline?

The InChIKey is MDNGJUJMYSJZML-WLJQPICRSA-N. The full InChI is InChI=1S/C35H54N2/c1-22(2)26-17-15-18-27(23(3)4)32(26)36-30(34(9,10)11)21-31(35(12,13)14)37-33-28(24(5)6)19-16-20-29(33)25(7)8/h15-25,36H,1-14H3/b30-21?,37-31-.

What are the key properties of N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline?

N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline has a molecular weight of 502.83 g/mol, XLogP of 11.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2,6-di(propan-2-yl)phenyl]imino-2,2,6,6-tetramethylhept-3-en-3-yl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 72959562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).