2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide

C12H18N2O — CID 173184422

IUPAC2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide
SMILESCC(C)(C)OC/C(N)=N/c1ccccc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)15-9-11(13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14)
InChIKeyGVANTAQWQDXLGY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.49
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide

2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide (PubChem CID 173184422) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide
PubChem CID173184422
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide
SMILESCC(C)(C)OC/C(N)=N/c1ccccc1
InChIInChI=1S/C12H18N2O/c1-12(2,3)15-9-11(13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14)
InChIKeyGVANTAQWQDXLGY-UHFFFAOYSA-N
XLogP2.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.49
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 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide (CID 173184422) is 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide is CC(C)(C)OC/C(N)=N/c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide?
The InChIKey is GVANTAQWQDXLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)15-9-11(13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide?
2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide is sourced from PubChem (CID 173184422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).