N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide

C6H12INO2 — CID 167219999

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
SMILESCN(CC(C)(C)O)C(=O)I
InChIInChI=1S/C6H12INO2/c1-6(2,10)4-8(3)5(7)9/h10H,4H2,1-3H3
InChIKeyKUYMPHGGBQWNGC-UHFFFAOYSA-N
MW257.07 g/mol
LogP1.24
Rot. Bonds2

About N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide

N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide (PubChem CID 167219999) has the molecular formula C6H12INO2 and a molecular weight of 257.07 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
PubChem CID167219999
Molecular FormulaC6H12INO2
Molecular Weight257.07 g/mol
Exact Mass256.99
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide
SMILESCN(CC(C)(C)O)C(=O)I
InChIInChI=1S/C6H12INO2/c1-6(2,10)4-8(3)5(7)9/h10H,4H2,1-3H3
InChIKeyKUYMPHGGBQWNGC-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 79387762
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,2,2-trimethylpropanamide
CID 79389813
2-(tert-butylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79380358
2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 103755692
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
CID 79377276
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
2-carbamothioyl-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79378078
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide (CID 167219999) is N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide is CN(CC(C)(C)O)C(=O)I.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide?
The InChIKey is KUYMPHGGBQWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2/c1-6(2,10)4-8(3)5(7)9/h10H,4H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide?
N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide has a molecular weight of 257.07 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylcarbamoyl iodide is sourced from PubChem (CID 167219999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).