tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate

C13H22N2O2 — CID 123584320

IUPACtert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate
SMILESC=C(C)C=NC(=C)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-8-15(11(4)14-9-10(2)3)12(16)17-13(5,6)7/h9H,2,4,8H2,1,3,5-7H3
InChIKeyUOMAZXPMKATQJR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.36
Rot. Bonds4

About tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate

tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate (PubChem CID 123584320) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate
PubChem CID123584320
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nametert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate
SMILESC=C(C)C=NC(=C)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H22N2O2/c1-8-15(11(4)14-9-10(2)3)12(16)17-13(5,6)7/h9H,2,4,8H2,1,3,5-7H3
InChIKeyUOMAZXPMKATQJR-UHFFFAOYSA-N
XLogP3.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate (CID 123584320) is tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate is C=C(C)C=NC(=C)N(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate?
The InChIKey is UOMAZXPMKATQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-15(11(4)14-9-10(2)3)12(16)17-13(5,6)7/h9H,2,4,8H2,1,3,5-7H3.
What are the key properties of tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate?
tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate has a molecular weight of 238.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[1-(2-methylprop-2-enylideneamino)ethenyl]carbamate is sourced from PubChem (CID 123584320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).