2-tert-butyliminoethyl 2,2-dimethylpropanoate

C11H21NO2 — CID 13033935

IUPAC2-tert-butyliminoethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)/N=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)9(13)14-8-7-12-11(4,5)6/h7H,8H2,1-6H3/b12-7+
InChIKeyNROBMCRKVVGLCU-KPKJPENVSA-N
MW199.29 g/mol
LogP2.44
Rot. Bonds2

About 2-tert-butyliminoethyl 2,2-dimethylpropanoate

2-tert-butyliminoethyl 2,2-dimethylpropanoate (PubChem CID 13033935) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-tert-butyliminoethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-tert-butyliminoethyl 2,2-dimethylpropanoate
PubChem CID13033935
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-tert-butyliminoethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)/N=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)9(13)14-8-7-12-11(4,5)6/h7H,8H2,1-6H3/b12-7+
InChIKeyNROBMCRKVVGLCU-KPKJPENVSA-N
XLogP2.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyliminoethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-tert-butyliminoethyl 2,2-dimethylpropanoate (CID 13033935) is 2-tert-butyliminoethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-tert-butyliminoethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-tert-butyliminoethyl 2,2-dimethylpropanoate is CC(C)(C)/N=C/COC(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyliminoethyl 2,2-dimethylpropanoate?
The InChIKey is NROBMCRKVVGLCU-KPKJPENVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)9(13)14-8-7-12-11(4,5)6/h7H,8H2,1-6H3/b12-7+.
What are the key properties of 2-tert-butyliminoethyl 2,2-dimethylpropanoate?
2-tert-butyliminoethyl 2,2-dimethylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyliminoethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 13033935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).