(1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)

C24H52N8Ti — CID 139143681

About (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)

(1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+) (PubChem CID 139143681) has the molecular formula C24H52N8Ti and a molecular weight of 500.60 g/mol. Its IUPAC name is (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+).

Molecular Properties

• Compound Name: (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)
• PubChem CID: 139143681
• Molecular Formula: C24H52N8Ti
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.38
• IUPAC Name: (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)
• SMILES: CC(C)(C)n1ccn(C(C)(C)C)c1=[N-].CC(C)/N=C(/[N-]C(C)C)N(C)C.C[N-]C.C[N-]C.[Ti+4]
• InChI: InChI=1S/C11H20N3.C9H20N3.2C2H6N.Ti/c1-10(2,3)13-7-8-14(9(13)12)11(4,5)6;1-7(2)10-9(12(5)6)11-8(3)4;2*1-3-2;/h7-8H,1-6H3;7-8H,1-6H3;2*1-2H3;/q4*-1;+4
• InChIKey: QMAHSJRNPBPDPU-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 90.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)?

The IUPAC name of (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+) (CID 139143681) is (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+).

What is the SMILES notation for (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)?

The canonical SMILES for (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+) is CC(C)(C)n1ccn(C(C)(C)C)c1=[N-].CC(C)/N=C(/[N-]C(C)C)N(C)C.C[N-]C.C[N-]C.[Ti+4].

What is the InChIKey of (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)?

The InChIKey is QMAHSJRNPBPDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3.C9H20N3.2C2H6N.Ti/c1-10(2,3)13-7-8-14(9(13)12)11(4,5)6;1-7(2)10-9(12(5)6)11-8(3)4;2*1-3-2;/h7-8H,1-6H3;7-8H,1-6H3;2*1-2H3;/q4*-1;+4.

What are the key properties of (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+)?

(1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+) has a molecular weight of 500.60 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-ditert-butylimidazol-2-ylidene)azanide;bis(dimethylazanide);(N,N-dimethyl-N'-propan-2-ylcarbamimidoyl)-propan-2-ylazanide;titanium(4+) is sourced from PubChem (CID 139143681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).