bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium

C26H48HfN2Si2-2 — CID 87830264

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium (PubChem CID 87830264) has the molecular formula C26H48HfN2Si2-2 and a molecular weight of 623.35 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium.

Molecular Properties

• Compound Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
• PubChem CID: 87830264
• Molecular Formula: C26H48HfN2Si2-2
• Molecular Weight: 623.35 g/mol
• Exact Mass: 624.28
• IUPAC Name: bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
• SMILES: CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.[Hf]
• InChI: InChI=1S/2C13H24NSi.Hf/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;/h2*7,9,11-12H,8H2,1-6H3;/q2*-1
• InChIKey: WRGYWIUGQBEPPY-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.35
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?

The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium (CID 87830264) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium.

What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?

The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium is CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.CC(C)N(C(C)C)[Si](C)(C)C1=[C-]CC=C1.[Hf].

What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?

The InChIKey is WRGYWIUGQBEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24NSi.Hf/c2*1-11(2)14(12(3)4)15(5,6)13-9-7-8-10-13;/h2*7,9,11-12H,8H2,1-6H3;/q2*-1;.

What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium?

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium has a molecular weight of 623.35 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium is sourced from PubChem (CID 87830264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).