tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)

C18H42LuN3O3 — CID 121235831

IUPACtris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
SMILESCN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].[Lu+3]
InChIInChI=1S/3C6H14NO.Lu/c3*1-6(2,8)5-7(3)4;/h3*5H2,1-4H3;/q3*-1;+3
InChIKeySMBJPOGDUNPHMA-UHFFFAOYSA-N
MW523.52 g/mol
LogP-0.94
Rot. Bonds6

About tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)

tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) (PubChem CID 121235831) has the molecular formula C18H42LuN3O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+).

Molecular Properties

Compound Nametris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
PubChem CID121235831
Molecular FormulaC18H42LuN3O3
Molecular Weight523.52 g/mol
Exact Mass523.26
IUPAC Nametris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
SMILESCN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].[Lu+3]
InChIInChI=1S/3C6H14NO.Lu/c3*1-6(2,8)5-7(3)4;/h3*5H2,1-4H3;/q3*-1;+3
InChIKeySMBJPOGDUNPHMA-UHFFFAOYSA-N
XLogP-0.94
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)?
The IUPAC name of tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) (CID 121235831) is tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+).
What is the SMILES notation for tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)?
The canonical SMILES for tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) is CN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].CN(C)CC(C)(C)[O-].[Lu+3].
What is the InChIKey of tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)?
The InChIKey is SMBJPOGDUNPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H14NO.Lu/c3*1-6(2,8)5-7(3)4;/h3*5H2,1-4H3;/q3*-1;+3.
What are the key properties of tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)?
tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) has a molecular weight of 523.52 g/mol, XLogP of -0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+) is sourced from PubChem (CID 121235831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).