N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine

C₁₉H₃₇NSi — CID 139806688

About N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine

N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine (PubChem CID 139806688) has the molecular formula C₁₉H₃₇NSi and a molecular weight of 307.60 g/mol. Its IUPAC name is N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
• PubChem CID: 139806688
• Molecular Formula: C₁₉H₃₇NSi
• Molecular Weight: 307.60 g/mol
• Exact Mass: 307.27
• IUPAC Name: N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine
• SMILES: CCCCCCCCC1([Si](C)(C)NC(C)(C)C)C=CC=C1
• InChI: InChI=1S/C19H37NSi/c1-7-8-9-10-11-12-15-19(16-13-14-17-19)21(5,6)20-18(2,3)4/h13-14,16-17,20H,7-12,15H2,1-6H3
• InChIKey: FIOXWQZYMPXGOZ-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	307.60
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?

The IUPAC name of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine (CID 139806688) is N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?

The canonical SMILES for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine is CCCCCCCCC1([Si](C)(C)NC(C)(C)C)C=CC=C1.

What is the InChIKey of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?

The InChIKey is FIOXWQZYMPXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NSi/c1-7-8-9-10-11-12-15-19(16-13-14-17-19)21(5,6)20-18(2,3)4/h13-14,16-17,20H,7-12,15H2,1-6H3.

What are the key properties of N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine?

N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine has a molecular weight of 307.60 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[dimethyl-(1-octylcyclopenta-2,4-dien-1-yl)silyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139806688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139806688 — identifiers, structure, computed properties (public domain)

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