N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline

C27H47NOSi — CID 153497921

About N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline (PubChem CID 153497921) has the molecular formula C27H47NOSi and a molecular weight of 429.77 g/mol. Its IUPAC name is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline.

Molecular Properties

• Compound Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline
• PubChem CID: 153497921
• Molecular Formula: C27H47NOSi
• Molecular Weight: 429.77 g/mol
• Exact Mass: 429.34
• IUPAC Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline
• SMILES: CC(C)(C)OCCCCCCC1CC([Si](C)(C)Nc2ccccc2)C2CCCCC12
• InChI: InChI=1S/C27H47NOSi/c1-27(2,3)29-20-14-7-6-9-15-22-21-26(25-19-13-12-18-24(22)25)30(4,5)28-23-16-10-8-11-17-23/h8,10-11,16-17,22,24-26,28H,6-7,9,12-15,18-21H2,1-5H3
• InChIKey: LSJHYZLDPAZTHH-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.77
LogP ≤ 5	8.27
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]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline?

The IUPAC name of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline (CID 153497921) is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline.

What is the SMILES notation for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline?

The canonical SMILES for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline is CC(C)(C)OCCCCCCC1CC([Si](C)(C)Nc2ccccc2)C2CCCCC12.

What is the InChIKey of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline?

The InChIKey is LSJHYZLDPAZTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NOSi/c1-27(2,3)29-20-14-7-6-9-15-22-21-26(25-19-13-12-18-24(22)25)30(4,5)28-23-16-10-8-11-17-23/h8,10-11,16-17,22,24-26,28H,6-7,9,12-15,18-21H2,1-5H3.

What are the key properties of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline?

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline has a molecular weight of 429.77 g/mol, XLogP of 8.27, 10 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]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]aniline is sourced from PubChem (CID 153497921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).