N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide

C8H18N2O — CID 63174182

IUPACN'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
SMILESCOCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)7(9)10-5-6-11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRLPRXLOBWOZVQO-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.04
Rot. Bonds3

About N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide

N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide (PubChem CID 63174182) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
PubChem CID63174182
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
SMILESCOCC/N=C(\N)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)7(9)10-5-6-11-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRLPRXLOBWOZVQO-UHFFFAOYSA-N
XLogP1.04
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide (CID 63174182) is N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide is COCC/N=C(\N)C(C)(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide?
The InChIKey is RLPRXLOBWOZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)7(9)10-5-6-11-4/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide?
N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63174182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).