N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

C25H29Cl2NSiTi — CID 173201299

IUPACN-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESC=C1c2ccccc2C2=C(CC([Si](C)(C)NC(C)(C)C)=C2)c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C25H29NSi.2ClH.Ti/c1-17-19-11-7-9-13-21(19)23-15-18(27(5,6)26-25(2,3)4)16-24(23)22-14-10-8-12-20(17)22;;;/h7-15,26H,1,16H2,2-6H3;2*1H;/q;;;+2/p-2
InChIKeyUZHHEDVHUJGKGV-UHFFFAOYSA-L
MW490.37 g/mol
LogP0.44
Rot. Bonds2

About N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride

N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (PubChem CID 173201299) has the molecular formula C25H29Cl2NSiTi and a molecular weight of 490.37 g/mol. Its IUPAC name is N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.

Molecular Properties

Compound NameN-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
PubChem CID173201299
Molecular FormulaC25H29Cl2NSiTi
Molecular Weight490.37 g/mol
Exact Mass489.09
IUPAC NameN-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
SMILESC=C1c2ccccc2C2=C(CC([Si](C)(C)NC(C)(C)C)=C2)c2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C25H29NSi.2ClH.Ti/c1-17-19-11-7-9-13-21(19)23-15-18(27(5,6)26-25(2,3)4)16-24(23)22-14-10-8-12-20(17)22;;;/h7-15,26H,1,16H2,2-6H3;2*1H;/q;;;+2/p-2
InChIKeyUZHHEDVHUJGKGV-UHFFFAOYSA-L
XLogP0.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The IUPAC name of N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride (CID 173201299) is N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride.
What is the SMILES notation for N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The canonical SMILES for N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is C=C1c2ccccc2C2=C(CC([Si](C)(C)NC(C)(C)C)=C2)c2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
The InChIKey is UZHHEDVHUJGKGV-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H29NSi.2ClH.Ti/c1-17-19-11-7-9-13-21(19)23-15-18(27(5,6)26-25(2,3)4)16-24(23)22-14-10-8-12-20(17)22;;;/h7-15,26H,1,16H2,2-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride?
N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride has a molecular weight of 490.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride is sourced from PubChem (CID 173201299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).