N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide

C11H24N2O — CID 114944278

IUPACN'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
SMILESCCOC(C)(C)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-14-11(5,6)8-13-9(12)10(2,3)4/h7-8H2,1-6H3,(H2,12,13)
InChIKeyPPYZKMMTNUIYIK-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.20
Rot. Bonds4

About N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide

N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide (PubChem CID 114944278) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
PubChem CID114944278
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
SMILESCCOC(C)(C)C/N=C(\N)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-7-14-11(5,6)8-13-9(12)10(2,3)4/h7-8H2,1-6H3,(H2,12,13)
InChIKeyPPYZKMMTNUIYIK-UHFFFAOYSA-N
XLogP2.20
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.20
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'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide (CID 114944278) is N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide is CCOC(C)(C)C/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide?
The InChIKey is PPYZKMMTNUIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-7-14-11(5,6)8-13-9(12)10(2,3)4/h7-8H2,1-6H3,(H2,12,13).
What are the key properties of N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide?
N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 114944278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).