N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid

C11H20N2O2 — CID 175438196

IUPACN'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCN=C=NC(C)(C)C
InChIInChI=1S/C7H14N2.C4H6O2/c1-5-8-6-9-7(2,3)4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyVFCHTIOOKFEFRX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds2

About N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid

N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid (PubChem CID 175438196) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
PubChem CID175438196
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCN=C=NC(C)(C)C
InChIInChI=1S/C7H14N2.C4H6O2/c1-5-8-6-9-7(2,3)4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6)
InChIKeyVFCHTIOOKFEFRX-UHFFFAOYSA-N
XLogP2.63
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenamine;2-methylprop-2-enoic acid
CID 18702482
CID 173413432
CID 173413432
4-(ethyliminomethylideneamino)-4-methylpentanamide;hydrochloride
CID 174897153
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid?
The IUPAC name of N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid (CID 175438196) is N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid.
What is the SMILES notation for N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid?
The canonical SMILES for N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCN=C=NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid?
The InChIKey is VFCHTIOOKFEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C4H6O2/c1-5-8-6-9-7(2,3)4;1-3(2)4(5)6/h5H2,1-4H3;1H2,2H3,(H,5,6).
What are the key properties of N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid?
N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid is sourced from PubChem (CID 175438196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).