tert-butyl 2-(2-ethylbutylideneamino)acetate

C12H23NO2 — CID 59249625

IUPACtert-butyl 2-(2-ethylbutylideneamino)acetate
SMILESCCC(/C=N/CC(=O)OC(C)(C)C)CC
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)8-13-9-11(14)15-12(3,4)5/h8,10H,6-7,9H2,1-5H3/b13-8+
InChIKeyAOULUNYZXHMZCK-MDWZMJQESA-N
MW213.32 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl 2-(2-ethylbutylideneamino)acetate

tert-butyl 2-(2-ethylbutylideneamino)acetate (PubChem CID 59249625) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-(2-ethylbutylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-ethylbutylideneamino)acetate
PubChem CID59249625
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-(2-ethylbutylideneamino)acetate
SMILESCCC(/C=N/CC(=O)OC(C)(C)C)CC
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)8-13-9-11(14)15-12(3,4)5/h8,10H,6-7,9H2,1-5H3/b13-8+
InChIKeyAOULUNYZXHMZCK-MDWZMJQESA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.84
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 tert-butyl 2-(2-ethylbutylideneamino)acetate?
The IUPAC name of tert-butyl 2-(2-ethylbutylideneamino)acetate (CID 59249625) is tert-butyl 2-(2-ethylbutylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-ethylbutylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(2-ethylbutylideneamino)acetate is CCC(/C=N/CC(=O)OC(C)(C)C)CC.
What is the InChIKey of tert-butyl 2-(2-ethylbutylideneamino)acetate?
The InChIKey is AOULUNYZXHMZCK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-10(7-2)8-13-9-11(14)15-12(3,4)5/h8,10H,6-7,9H2,1-5H3/b13-8+.
What are the key properties of tert-butyl 2-(2-ethylbutylideneamino)acetate?
tert-butyl 2-(2-ethylbutylideneamino)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-ethylbutylideneamino)acetate is sourced from PubChem (CID 59249625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).