4-(dimethylamino)-2-methylbutan-2-ol;zirconium

C7H17NOZr — CID 58881629

IUPAC4-(dimethylamino)-2-methylbutan-2-ol;zirconium
SMILESCN(C)CCC(C)(C)O.[Zr]
InChIInChI=1S/C7H17NO.Zr/c1-7(2,9)5-6-8(3)4;/h9H,5-6H2,1-4H3;
InChIKeyKETIELATZNDQAG-UHFFFAOYSA-N
MW222.44 g/mol
LogP0.71
Rot. Bonds3

About 4-(dimethylamino)-2-methylbutan-2-ol;zirconium

4-(dimethylamino)-2-methylbutan-2-ol;zirconium (PubChem CID 58881629) has the molecular formula C7H17NOZr and a molecular weight of 222.44 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylbutan-2-ol;zirconium.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylbutan-2-ol;zirconium
PubChem CID58881629
Molecular FormulaC7H17NOZr
Molecular Weight222.44 g/mol
Exact Mass221.04
IUPAC Name4-(dimethylamino)-2-methylbutan-2-ol;zirconium
SMILESCN(C)CCC(C)(C)O.[Zr]
InChIInChI=1S/C7H17NO.Zr/c1-7(2,9)5-6-8(3)4;/h9H,5-6H2,1-4H3;
InChIKeyKETIELATZNDQAG-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
4-(dimethylamino)-2,2-bis[2-(dimethylamino)ethyl]butane-1,1,1-triol
CID 88768729
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
1-amino-1-(3-hydroxy-3-methylbutyl)thiourea
CID 11217562
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
CID 79361609
4-[2-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 54506043
2-[(3-hydroxy-3-methylbutyl)-methylamino]ethanethioamide
CID 79355473
6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylbutan-2-ol;zirconium?
The IUPAC name of 4-(dimethylamino)-2-methylbutan-2-ol;zirconium (CID 58881629) is 4-(dimethylamino)-2-methylbutan-2-ol;zirconium.
What is the SMILES notation for 4-(dimethylamino)-2-methylbutan-2-ol;zirconium?
The canonical SMILES for 4-(dimethylamino)-2-methylbutan-2-ol;zirconium is CN(C)CCC(C)(C)O.[Zr].
What is the InChIKey of 4-(dimethylamino)-2-methylbutan-2-ol;zirconium?
The InChIKey is KETIELATZNDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.Zr/c1-7(2,9)5-6-8(3)4;/h9H,5-6H2,1-4H3;.
What are the key properties of 4-(dimethylamino)-2-methylbutan-2-ol;zirconium?
4-(dimethylamino)-2-methylbutan-2-ol;zirconium has a molecular weight of 222.44 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylbutan-2-ol;zirconium is sourced from PubChem (CID 58881629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).