N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride

C22H33Cl2NOSiTi+2 — CID 157185328

IUPACN-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
SMILESCN([Si](=O)CC1C(CC2CCCCC2)=Cc2ccccc21)C(C)(C)C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H33NOSi.2ClH.Ti/c1-22(2,3)23(4)25(24)16-21-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)21;;;/h8-9,12-13,15,17,21H,5-7,10-11,14,16H2,1-4H3;2*1H;/q;;;+4/p-2
InChIKeyAPAZBXMVGKLWHO-UHFFFAOYSA-L
MW474.37 g/mol
LogP-0.21
Rot. Bonds5

About N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride

N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride (PubChem CID 157185328) has the molecular formula C22H33Cl2NOSiTi+2 and a molecular weight of 474.37 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
PubChem CID157185328
Molecular FormulaC22H33Cl2NOSiTi+2
Molecular Weight474.37 g/mol
Exact Mass473.12
IUPAC NameN-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
SMILESCN([Si](=O)CC1C(CC2CCCCC2)=Cc2ccccc21)C(C)(C)C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C22H33NOSi.2ClH.Ti/c1-22(2,3)23(4)25(24)16-21-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)21;;;/h8-9,12-13,15,17,21H,5-7,10-11,14,16H2,1-4H3;2*1H;/q;;;+4/p-2
InChIKeyAPAZBXMVGKLWHO-UHFFFAOYSA-L
XLogP-0.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride
CID 157185777
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
1,2-diethyl-1H-indene
CID 54262428
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
3-(cyclohexylmethyl)-1-[[3-(cyclohexylmethyl)-1H-inden-1-yl]methyl]-1H-indene
CID 22595411
[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride
CID 173157457
N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine
CID 87063608
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium
CID 87357348
chloro-[3-(cyclohexylmethyl)-1H-inden-1-yl]-dimethylsilane
CID 146727598
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
1,4-bis(cyclohexylmethyl)-2,5-dimethylbenzene
CID 59821631

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride?
The IUPAC name of N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride (CID 157185328) is N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride.
What is the SMILES notation for N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride?
The canonical SMILES for N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride is CN([Si](=O)CC1C(CC2CCCCC2)=Cc2ccccc21)C(C)(C)C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride?
The InChIKey is APAZBXMVGKLWHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H33NOSi.2ClH.Ti/c1-22(2,3)23(4)25(24)16-21-19(14-17-10-6-5-7-11-17)15-18-12-8-9-13-20(18)21;;;/h8-9,12-13,15,17,21H,5-7,10-11,14,16H2,1-4H3;2*1H;/q;;;+4/p-2.
What are the key properties of N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride?
N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride has a molecular weight of 474.37 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride is sourced from PubChem (CID 157185328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).