N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

C15H29Cl2NSiTi — CID 22726383

IUPACN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESCC1=C(C)C(C)C(C)=C1[Si](C)(C)NC(C)(C)C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H29NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10,16H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyCUHNBBIBAAMUHX-UHFFFAOYSA-L
MW370.26 g/mol
LogP-1.57
Rot. Bonds2

About N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (PubChem CID 22726383) has the molecular formula C15H29Cl2NSiTi and a molecular weight of 370.26 g/mol. Its IUPAC name is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.

Molecular Properties

Compound NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
PubChem CID22726383
Molecular FormulaC15H29Cl2NSiTi
Molecular Weight370.26 g/mol
Exact Mass369.09
IUPAC NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESCC1=C(C)C(C)C(C)=C1[Si](C)(C)NC(C)(C)C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H29NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10,16H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyCUHNBBIBAAMUHX-UHFFFAOYSA-L
XLogP-1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 5-1.57
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-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The IUPAC name of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (CID 22726383) is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.
What is the SMILES notation for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The canonical SMILES for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is CC1=C(C)C(C)C(C)=C1[Si](C)(C)NC(C)(C)C.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The InChIKey is CUHNBBIBAAMUHX-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H29NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h10,16H,1-9H3;2*1H;/q;;;+2/p-2.
What are the key properties of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride has a molecular weight of 370.26 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is sourced from PubChem (CID 22726383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).