N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide

C12H26N2O — CID 116780038

IUPACN'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
SMILESCCOC(CC)(CC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-12(8-2,15-9-3)10(13)14-11(4,5)6/h7-9H2,1-6H3,(H2,13,14)
InChIKeySCSOOMYIJZXFKD-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.74
Rot. Bonds5

About N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide

N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide (PubChem CID 116780038) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
PubChem CID116780038
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
SMILESCCOC(CC)(CC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-12(8-2,15-9-3)10(13)14-11(4,5)6/h7-9H2,1-6H3,(H2,13,14)
InChIKeySCSOOMYIJZXFKD-UHFFFAOYSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide?
The IUPAC name of N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide (CID 116780038) is N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide.
What is the SMILES notation for N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide?
The canonical SMILES for N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide is CCOC(CC)(CC)/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide?
The InChIKey is SCSOOMYIJZXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-7-12(8-2,15-9-3)10(13)14-11(4,5)6/h7-9H2,1-6H3,(H2,13,14).
What are the key properties of N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide?
N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide has a molecular weight of 214.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide is sourced from PubChem (CID 116780038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).