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

C8H18N2O — CID 114944274

IUPACN'-(2-ethoxy-2-methylpropyl)ethanimidamide
SMILESCCOC(C)(C)C/N=C(\C)N
InChIInChI=1S/C8H18N2O/c1-5-11-8(3,4)6-10-7(2)9/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRKCNFRCLJXURDS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.18
Rot. Bonds4

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

N'-(2-ethoxy-2-methylpropyl)ethanimidamide (PubChem CID 114944274) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(2-ethoxy-2-methylpropyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-ethoxy-2-methylpropyl)ethanimidamide
PubChem CID114944274
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(2-ethoxy-2-methylpropyl)ethanimidamide
SMILESCCOC(C)(C)C/N=C(\C)N
InChIInChI=1S/C8H18N2O/c1-5-11-8(3,4)6-10-7(2)9/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRKCNFRCLJXURDS-UHFFFAOYSA-N
XLogP1.18
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.18
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'}

Analyze N'-(2-ethoxy-2-methylpropyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxy-2-methylpropyl)guanidine
CID 114942747
N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
CID 114944278
N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
CID 114944271
N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
CID 130693138
N'-(2-methoxy-2-methylpropyl)propanimidamide
CID 104766080
N'-(3-hydroxy-3-methylbutyl)ethanimidamide
CID 130723765
2-ethoxy-2-methyl-N'-propylpropanimidamide
CID 116732336
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
CID 116780038
N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
CID 130723764
N'-(2-ethoxyethyl)ethanimidamide
CID 63173013
1-amino-2-ethoxypropan-2-ol
CID 174792064

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxy-2-methylpropyl)ethanimidamide?
The IUPAC name of N'-(2-ethoxy-2-methylpropyl)ethanimidamide (CID 114944274) is N'-(2-ethoxy-2-methylpropyl)ethanimidamide.
What is the SMILES notation for N'-(2-ethoxy-2-methylpropyl)ethanimidamide?
The canonical SMILES for N'-(2-ethoxy-2-methylpropyl)ethanimidamide is CCOC(C)(C)C/N=C(\C)N.
What is the InChIKey of N'-(2-ethoxy-2-methylpropyl)ethanimidamide?
The InChIKey is RKCNFRCLJXURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-11-8(3,4)6-10-7(2)9/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of N'-(2-ethoxy-2-methylpropyl)ethanimidamide?
N'-(2-ethoxy-2-methylpropyl)ethanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.18, 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)ethanimidamide is sourced from PubChem (CID 114944274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).