bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride

C18H34Cl2N2Si2Zr — CID 87840545

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+2
InChIKeyZKDGRKXUADEXJM-UHFFFAOYSA-N
MW496.79 g/mol
LogP4.80
Rot. Bonds4

About bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride (PubChem CID 87840545) has the molecular formula C18H34Cl2N2Si2Zr and a molecular weight of 496.79 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride
PubChem CID87840545
Molecular FormulaC18H34Cl2N2Si2Zr
Molecular Weight496.79 g/mol
Exact Mass494.07
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2]
InChIInChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+2
InChIKeyZKDGRKXUADEXJM-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.79
LogP ≤ 54.80
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'}

Analyze bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride?
The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride (CID 87840545) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride.
What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride?
The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride is CN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Zr+2].
What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride?
The InChIKey is ZKDGRKXUADEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16NSi.2ClH.Zr/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride?
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);zirconium(2+);dihydrochloride has a molecular weight of 496.79 g/mol, XLogP of 4.80, 4 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-methylmethanamine);zirconium(2+);dihydrochloride is sourced from PubChem (CID 87840545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).