N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C32H39NSi — CID 141005417

About N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 141005417) has the molecular formula C32H39NSi and a molecular weight of 465.76 g/mol. Its IUPAC name is N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

• Compound Name: N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
• PubChem CID: 141005417
• Molecular Formula: C32H39NSi
• Molecular Weight: 465.76 g/mol
• Exact Mass: 465.29
• IUPAC Name: N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
• SMILES: C(/C=C/c1ccccc1)=C\c1ccccc1.CC1=Cc2ccccc2C1[Si](C)(C)NC(C)(C)C
• InChI: InChI=1S/C16H25NSi.C16H14/c1-12-11-13-9-7-8-10-14(13)15(12)18(5,6)17-16(2,3)4;1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7-11,15,17H,1-6H3;1-14H/b;13-7+,14-8+
• InChIKey: MQRHLTVRMTWENL-DGBMRDIKSA-N
• XLogP: 8.73
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.76
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?

The IUPAC name of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 141005417) is N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

What is the SMILES notation for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?

The canonical SMILES for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C/c1ccccc1)=C\c1ccccc1.CC1=Cc2ccccc2C1[Si](C)(C)NC(C)(C)C.

What is the InChIKey of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?

The InChIKey is MQRHLTVRMTWENL-DGBMRDIKSA-N. The full InChI is InChI=1S/C16H25NSi.C16H14/c1-12-11-13-9-7-8-10-14(13)15(12)18(5,6)17-16(2,3)4;1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h7-11,15,17H,1-6H3;1-14H/b;13-7+,14-8+.

What are the key properties of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?

N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 465.76 g/mol, XLogP of 8.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 141005417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).