N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide

C13H20N2O — CID 114944271

IUPACN'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
SMILESCCOC(C)(C)C/N=C(\N)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-16-13(2,3)10-15-12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H2,14,15)
InChIKeyPELFFWPWKJGFJY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.21
Rot. Bonds5

About N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide

N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide (PubChem CID 114944271) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
PubChem CID114944271
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
SMILESCCOC(C)(C)C/N=C(\N)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-16-13(2,3)10-15-12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H2,14,15)
InChIKeyPELFFWPWKJGFJY-UHFFFAOYSA-N
XLogP2.21
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.21
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)benzenecarboximidamide?
The IUPAC name of N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide (CID 114944271) is N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide is CCOC(C)(C)C/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide?
The InChIKey is PELFFWPWKJGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-16-13(2,3)10-15-12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H2,14,15).
What are the key properties of N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide?
N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.21, 5 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)benzenecarboximidamide is sourced from PubChem (CID 114944271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).