2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride

C15H25Cl2NTi — CID 87909116

IUPAC2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride
SMILESCC1=C(C)C(C)C([CH-][CH-]NC(C)(C)C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H25N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h8-9,12,16H,1-7H3;2*1H;/q-2;;;+4/p-2
InChIKeyLBVGZOOPABWHHG-UHFFFAOYSA-L
MW338.15 g/mol
LogP-1.95
Rot. Bonds3

About 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride

2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride (PubChem CID 87909116) has the molecular formula C15H25Cl2NTi and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride.

Molecular Properties

Compound Name2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride
PubChem CID87909116
Molecular FormulaC15H25Cl2NTi
Molecular Weight338.15 g/mol
Exact Mass337.08
IUPAC Name2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride
SMILESCC1=C(C)C(C)C([CH-][CH-]NC(C)(C)C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C15H25N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h8-9,12,16H,1-7H3;2*1H;/q-2;;;+4/p-2
InChIKeyLBVGZOOPABWHHG-UHFFFAOYSA-L
XLogP-1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride?
The IUPAC name of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride (CID 87909116) is 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride.
What is the SMILES notation for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride?
The canonical SMILES for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride is CC1=C(C)C(C)C([CH-][CH-]NC(C)(C)C)=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride?
The InChIKey is LBVGZOOPABWHHG-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H25N.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;/h8-9,12,16H,1-7H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride?
2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride has a molecular weight of 338.15 g/mol, XLogP of -1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine;titanium(4+);dichloride is sourced from PubChem (CID 87909116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).