1-(dimethylamino)-2-methylpropan-2-ol;zirconium

C6H15NOZr — CID 58881657

IUPAC1-(dimethylamino)-2-methylpropan-2-ol;zirconium
SMILESCN(C)CC(C)(C)O.[Zr]
InChIInChI=1S/C6H15NO.Zr/c1-6(2,8)5-7(3)4;/h8H,5H2,1-4H3;
InChIKeyLAYOOGMWJADWIZ-UHFFFAOYSA-N
MW208.42 g/mol
LogP0.32
Rot. Bonds2

About 1-(dimethylamino)-2-methylpropan-2-ol;zirconium

1-(dimethylamino)-2-methylpropan-2-ol;zirconium (PubChem CID 58881657) has the molecular formula C6H15NOZr and a molecular weight of 208.42 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpropan-2-ol;zirconium.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpropan-2-ol;zirconium
PubChem CID58881657
Molecular FormulaC6H15NOZr
Molecular Weight208.42 g/mol
Exact Mass207.02
IUPAC Name1-(dimethylamino)-2-methylpropan-2-ol;zirconium
SMILESCN(C)CC(C)(C)O.[Zr]
InChIInChI=1S/C6H15NO.Zr/c1-6(2,8)5-7(3)4;/h8H,5H2,1-4H3;
InChIKeyLAYOOGMWJADWIZ-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylpropan-2-ol;zirconium?
The IUPAC name of 1-(dimethylamino)-2-methylpropan-2-ol;zirconium (CID 58881657) is 1-(dimethylamino)-2-methylpropan-2-ol;zirconium.
What is the SMILES notation for 1-(dimethylamino)-2-methylpropan-2-ol;zirconium?
The canonical SMILES for 1-(dimethylamino)-2-methylpropan-2-ol;zirconium is CN(C)CC(C)(C)O.[Zr].
What is the InChIKey of 1-(dimethylamino)-2-methylpropan-2-ol;zirconium?
The InChIKey is LAYOOGMWJADWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.Zr/c1-6(2,8)5-7(3)4;/h8H,5H2,1-4H3;.
What are the key properties of 1-(dimethylamino)-2-methylpropan-2-ol;zirconium?
1-(dimethylamino)-2-methylpropan-2-ol;zirconium has a molecular weight of 208.42 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpropan-2-ol;zirconium is sourced from PubChem (CID 58881657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).