tert-butyl 2-(2,2-dimethylhydrazinyl)acetate

C8H18N2O2 — CID 20684895

IUPACtert-butyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCN(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)6-9-10(4)5/h9H,6H2,1-5H3
InChIKeyNGKZGRLKURJKML-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.39
Rot. Bonds3

About tert-butyl 2-(2,2-dimethylhydrazinyl)acetate

tert-butyl 2-(2,2-dimethylhydrazinyl)acetate (PubChem CID 20684895) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylhydrazinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylhydrazinyl)acetate
PubChem CID20684895
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl 2-(2,2-dimethylhydrazinyl)acetate
SMILESCN(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)6-9-10(4)5/h9H,6H2,1-5H3
InChIKeyNGKZGRLKURJKML-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
tert-butyl 2-(methylamino)acetate;hydron;chloride
CID 45382244
tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-(1,1-diethoxyethylamino)acetate
CID 19094648
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
CID 54958485
2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
CID 59035178
tert-butyl 2-(methanesulfinamido)acetate
CID 143068287
tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
CID 146252161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylhydrazinyl)acetate?
The IUPAC name of tert-butyl 2-(2,2-dimethylhydrazinyl)acetate (CID 20684895) is tert-butyl 2-(2,2-dimethylhydrazinyl)acetate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylhydrazinyl)acetate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylhydrazinyl)acetate is CN(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2-dimethylhydrazinyl)acetate?
The InChIKey is NGKZGRLKURJKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)6-9-10(4)5/h9H,6H2,1-5H3.
What are the key properties of tert-butyl 2-(2,2-dimethylhydrazinyl)acetate?
tert-butyl 2-(2,2-dimethylhydrazinyl)acetate has a molecular weight of 174.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylhydrazinyl)acetate is sourced from PubChem (CID 20684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).