N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

C11H21Cl2NSiTi — CID 173190936

IUPACN-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESCC(C)(C)N[Si](C)(C)C1=CC=CC1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H21NSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6-8,12H,9H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyXVXSVAPWJTWSJT-UHFFFAOYSA-L
MW314.16 g/mol
LogP-2.99
Rot. Bonds2

About N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (PubChem CID 173190936) has the molecular formula C11H21Cl2NSiTi and a molecular weight of 314.16 g/mol. Its IUPAC name is N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.

Molecular Properties

Compound NameN-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
PubChem CID173190936
Molecular FormulaC11H21Cl2NSiTi
Molecular Weight314.16 g/mol
Exact Mass313.03
IUPAC NameN-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESCC(C)(C)N[Si](C)(C)C1=CC=CC1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C11H21NSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6-8,12H,9H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyXVXSVAPWJTWSJT-UHFFFAOYSA-L
XLogP-2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 5-2.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The IUPAC name of N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (CID 173190936) is N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.
What is the SMILES notation for N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The canonical SMILES for N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is CC(C)(C)N[Si](C)(C)C1=CC=CC1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The InChIKey is XVXSVAPWJTWSJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H21NSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6-8,12H,9H2,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride has a molecular weight of 314.16 g/mol, XLogP of -2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is sourced from PubChem (CID 173190936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).