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

C18H34Cl2HfN2Si2-2 — CID 87839439

IUPACbis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Hf]
InChIInChI=1S/2C9H16NSi.2ClH.Hf/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;
InChIKeyAVVIVRXPTNTKPD-UHFFFAOYSA-N
MW584.05 g/mol
LogP4.80
Rot. Bonds4

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

bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride (PubChem CID 87839439) has the molecular formula C18H34Cl2HfN2Si2-2 and a molecular weight of 584.05 g/mol. Its IUPAC name is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride.

Molecular Properties

Compound Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride
PubChem CID87839439
Molecular FormulaC18H34Cl2HfN2Si2-2
Molecular Weight584.05 g/mol
Exact Mass584.11
IUPAC Namebis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride
SMILESCN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Hf]
InChIInChI=1S/2C9H16NSi.2ClH.Hf/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;
InChIKeyAVVIVRXPTNTKPD-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.05
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride?
The IUPAC name of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride (CID 87839439) is bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride.
What is the SMILES notation for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride?
The canonical SMILES for bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride is CN(C)[Si](C)(C)C1=[C-]CC=C1.CN(C)[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Hf].
What is the InChIKey of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride?
The InChIKey is AVVIVRXPTNTKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16NSi.2ClH.Hf/c2*1-10(2)11(3,4)9-7-5-6-8-9;;;/h2*5,7H,6H2,1-4H3;2*1H;/q2*-1;;;.
What are the key properties of bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride?
bis(N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]-N-methylmethanamine);hafnium;dihydrochloride has a molecular weight of 584.05 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);hafnium;dihydrochloride is sourced from PubChem (CID 87839439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).