(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate

C9H20N2O2 — CID 88662730

IUPAC(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)NNOC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2,3)7(12)13-11-10-9(4,5)6/h10-11H,1-6H3
InChIKeyIKZBKIQRRFDMBJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.38
Rot. Bonds2

About (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate

(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate (PubChem CID 88662730) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate
PubChem CID88662730
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)NNOC(=O)C(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2,3)7(12)13-11-10-9(4,5)6/h10-11H,1-6H3
InChIKeyIKZBKIQRRFDMBJ-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;(tert-butylamino) 2,2-dimethylpropanoate
CID 174934369
azane;(2-hydroxyethylamino) 2,2-dimethylpropanoate
CID 174766160
(2,2-difluoroethylamino) 2,2-dimethylpropanoate
CID 174942642
methyl N-(tert-butylamino)carbamate
CID 20626707
[(4-methylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 87830167
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
N'-tert-butyl-3,3-dimethyl-2-oxobutanehydrazide
CID 118361977
(6-aminohexylamino) 2,2-dimethylpropanoate
CID 58975914
(butoxycarbonylamino) 2,2-dimethylpropanoate
CID 174862804
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
CID 54093777
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
propyl N-(tert-butylamino)carbamate
CID 150814794

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate (CID 88662730) is (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate is CC(C)(C)NNOC(=O)C(C)(C)C.
What is the InChIKey of (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate?
The InChIKey is IKZBKIQRRFDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2,3)7(12)13-11-10-9(4,5)6/h10-11H,1-6H3.
What are the key properties of (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate?
(2-tert-butylhydrazinyl) 2,2-dimethylpropanoate has a molecular weight of 188.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylhydrazinyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 88662730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).