iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate

C8H16INO2 — CID 139316007

IUPACiodo 2-[2,2-dimethylpropyl(methyl)amino]acetate
SMILESCN(CC(=O)OI)CC(C)(C)C
InChIInChI=1S/C8H16INO2/c1-8(2,3)6-10(4)5-7(11)12-9/h5-6H2,1-4H3
InChIKeySDOISKVJVOCFIM-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.86
Rot. Bonds3

About iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate

iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate (PubChem CID 139316007) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate.

Molecular Properties

Compound Nameiodo 2-[2,2-dimethylpropyl(methyl)amino]acetate
PubChem CID139316007
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Nameiodo 2-[2,2-dimethylpropyl(methyl)amino]acetate
SMILESCN(CC(=O)OI)CC(C)(C)C
InChIInChI=1S/C8H16INO2/c1-8(2,3)6-10(4)5-7(11)12-9/h5-6H2,1-4H3
InChIKeySDOISKVJVOCFIM-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate?
The IUPAC name of iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate (CID 139316007) is iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate.
What is the SMILES notation for iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate?
The canonical SMILES for iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate is CN(CC(=O)OI)CC(C)(C)C.
What is the InChIKey of iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate?
The InChIKey is SDOISKVJVOCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-8(2,3)6-10(4)5-7(11)12-9/h5-6H2,1-4H3.
What are the key properties of iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate?
iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate has a molecular weight of 285.13 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-[2,2-dimethylpropyl(methyl)amino]acetate is sourced from PubChem (CID 139316007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).