[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride

C12H19Cl2NTi — CID 87997453

IUPAC[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride
SMILESCCNC(=[Ti+2])C1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-]
InChIInChI=1S/C12H19N.2ClH.Ti/c1-6-13-7-12-10(4)8(2)9(3)11(12)5;;;/h12-13H,6H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeySARGIAOWOVBOGT-UHFFFAOYSA-L
MW296.06 g/mol
LogP-3.42
Rot. Bonds3

About [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride

[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride (PubChem CID 87997453) has the molecular formula C12H19Cl2NTi and a molecular weight of 296.06 g/mol. Its IUPAC name is [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride.

Molecular Properties

Compound Name[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride
PubChem CID87997453
Molecular FormulaC12H19Cl2NTi
Molecular Weight296.06 g/mol
Exact Mass295.04
IUPAC Name[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride
SMILESCCNC(=[Ti+2])C1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-]
InChIInChI=1S/C12H19N.2ClH.Ti/c1-6-13-7-12-10(4)8(2)9(3)11(12)5;;;/h12-13H,6H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeySARGIAOWOVBOGT-UHFFFAOYSA-L
XLogP-3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.06
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride?
The IUPAC name of [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride (CID 87997453) is [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride.
What is the SMILES notation for [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride?
The canonical SMILES for [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride is CCNC(=[Ti+2])C1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-].
What is the InChIKey of [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride?
The InChIKey is SARGIAOWOVBOGT-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H19N.2ClH.Ti/c1-6-13-7-12-10(4)8(2)9(3)11(12)5;;;/h12-13H,6H2,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride?
[ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride has a molecular weight of 296.06 g/mol, XLogP of -3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylamino-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methylidene]titanium(2+) dichloride is sourced from PubChem (CID 87997453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).