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

C26H48HfN2Si2-2 — CID 87830264

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
SMILESCC(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]
InChIInChI=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;
InChIKeyWRGYWIUGQBEPPY-UHFFFAOYSA-N
MW623.35 g/mol
LogP7.08
Rot. Bonds8

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 Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
PubChem CID87830264
Molecular FormulaC26H48HfN2Si2-2
Molecular Weight623.35 g/mol
Exact Mass624.28
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-propan-2-ylpropan-2-amine);hafnium
SMILESCC(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]
InChIInChI=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;
InChIKeyWRGYWIUGQBEPPY-UHFFFAOYSA-N
XLogP7.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.35
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).