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

C8H17IN2O — CID 167170502

IUPAC2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCOC)C(C)(C)I
InChIInChI=1S/C8H17IN2O/c1-8(2,9)7(10)11(3)5-6-12-4/h10H,5-6H2,1-4H3/b10-7-
InChIKeyIUWARRBLYRIJGY-YFHOEESVSA-N
MW284.14 g/mol
LogP1.76
Rot. Bonds4

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

2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide (PubChem CID 167170502) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide.

Molecular Properties

Compound Name2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
PubChem CID167170502
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC Name2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide
SMILES[H]/N=C(\N(C)CCOC)C(C)(C)I
InChIInChI=1S/C8H17IN2O/c1-8(2,9)7(10)11(3)5-6-12-4/h10H,5-6H2,1-4H3/b10-7-
InChIKeyIUWARRBLYRIJGY-YFHOEESVSA-N
XLogP1.76
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide?
The IUPAC name of 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide (CID 167170502) is 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide.
What is the SMILES notation for 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide?
The canonical SMILES for 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide is [H]/N=C(\N(C)CCOC)C(C)(C)I.
What is the InChIKey of 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide?
The InChIKey is IUWARRBLYRIJGY-YFHOEESVSA-N. The full InChI is InChI=1S/C8H17IN2O/c1-8(2,9)7(10)11(3)5-6-12-4/h10H,5-6H2,1-4H3/b10-7-.
What are the key properties of 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide?
2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide has a molecular weight of 284.14 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methoxyethyl)-N,2-dimethylpropanimidamide is sourced from PubChem (CID 167170502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).