N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine

C25H45NOSi — CID 140875543

About N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine (PubChem CID 140875543) has the molecular formula C25H45NOSi and a molecular weight of 403.73 g/mol. Its IUPAC name is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine.

Molecular Properties

• Compound Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine
• PubChem CID: 140875543
• Molecular Formula: C25H45NOSi
• Molecular Weight: 403.73 g/mol
• Exact Mass: 403.33
• IUPAC Name: N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine
• SMILES: C=CCCN[Si](C)(C)C1CC(CCCCCCOC(C)(C)C)C2C=CC=CC21
• InChI: InChI=1S/C25H45NOSi/c1-7-8-18-26-28(5,6)24-20-21(22-16-12-13-17-23(22)24)15-11-9-10-14-19-27-25(2,3)4/h7,12-13,16-17,21-24,26H,1,8-11,14-15,18-20H2,2-6H3
• InChIKey: XRVVNBGYHRVOPV-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.73
LogP ≤ 5	6.87
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'}, {'alert_name': 'isolated_alkene', '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,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine?

The IUPAC name of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine (CID 140875543) is N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine.

What is the SMILES notation for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine?

The canonical SMILES for N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine is C=CCCN[Si](C)(C)C1CC(CCCCCCOC(C)(C)C)C2C=CC=CC21.

What is the InChIKey of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine?

The InChIKey is XRVVNBGYHRVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NOSi/c1-7-8-18-26-28(5,6)24-20-21(22-16-12-13-17-23(22)24)15-11-9-10-14-19-27-25(2,3)4/h7,12-13,16-17,21-24,26H,1,8-11,14-15,18-20H2,2-6H3.

What are the key properties of N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine?

N-[dimethyl-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine has a molecular weight of 403.73 g/mol, XLogP of 6.87, 12 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,7a-tetrahydro-1H-inden-1-yl]silyl]but-3-en-1-amine is sourced from PubChem (CID 140875543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).