N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine

C25H43NOSi — CID 140733141

About N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine (PubChem CID 140733141) has the molecular formula C25H43NOSi and a molecular weight of 401.71 g/mol. Its IUPAC name is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine
• PubChem CID: 140733141
• Molecular Formula: C25H43NOSi
• Molecular Weight: 401.71 g/mol
• Exact Mass: 401.31
• IUPAC Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine
• SMILES: CC(C)(C)N[Si](C)(C)C1C=C(CCCCCCOC(C)(C)C)c2ccccc21
• InChI: InChI=1S/C25H43NOSi/c1-24(2,3)26-28(7,8)23-19-20(21-16-12-13-17-22(21)23)15-11-9-10-14-18-27-25(4,5)6/h12-13,16-17,19,23,26H,9-11,14-15,18H2,1-8H3
• InChIKey: ASIPAODGSYQKMC-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.71
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine?

The IUPAC name of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine (CID 140733141) is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine?

The canonical SMILES for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine is CC(C)(C)N[Si](C)(C)C1C=C(CCCCCCOC(C)(C)C)c2ccccc21.

What is the InChIKey of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine?

The InChIKey is ASIPAODGSYQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NOSi/c1-24(2,3)26-28(7,8)23-19-20(21-16-12-13-17-22(21)23)15-11-9-10-14-18-27-25(4,5)6/h12-13,16-17,19,23,26H,9-11,14-15,18H2,1-8H3.

What are the key properties of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine?

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine has a molecular weight of 401.71 g/mol, XLogP of 7.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 140733141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).