tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)

C22H43N3Ti — CID 19035407

About tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)

tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+) (PubChem CID 19035407) has the molecular formula C22H43N3Ti and a molecular weight of 397.47 g/mol. Its IUPAC name is tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+).

Molecular Properties

• Compound Name: tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
• PubChem CID: 19035407
• Molecular Formula: C22H43N3Ti
• Molecular Weight: 397.47 g/mol
• Exact Mass: 397.29
• IUPAC Name: tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)
• SMILES: C=C(C)C(=C)C.CC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
• InChI: InChI=1S/C10H15.C6H10.3C2H6N.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-5(2)6(3)4;3*1-3-2;/h1-5H3;1,3H2,2,4H3;3*1-2H3;/q-1;;3*-1;+4
• InChIKey: LUYFXYFSEDJLQV-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 42.30 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.47
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?

The IUPAC name of tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+) (CID 19035407) is tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+).

What is the SMILES notation for tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?

The canonical SMILES for tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+) is C=C(C)C(=C)C.CC1=[C-]C(C)(C)C(C)=C1C.C[N-]C.C[N-]C.C[N-]C.[Ti+4].

What is the InChIKey of tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?

The InChIKey is LUYFXYFSEDJLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C6H10.3C2H6N.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-5(2)6(3)4;3*1-3-2;/h1-5H3;1,3H2,2,4H3;3*1-2H3;/q-1;;3*-1;+4.

What are the key properties of tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+)?

tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+) has a molecular weight of 397.47 g/mol, XLogP of 7.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tris(dimethylazanide);2,3-dimethylbuta-1,3-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+) is sourced from PubChem (CID 19035407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).