N-[2-[iodomethyl(methyl)amino]ethyl]acetamide

C6H13IN2O — CID 142973324

IUPACN-[2-[iodomethyl(methyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C)CI
InChIInChI=1S/C6H13IN2O/c1-6(10)8-3-4-9(2)5-7/h3-5H2,1-2H3,(H,8,10)
InChIKeyGATGXQABVYQCCD-UHFFFAOYSA-N
MW256.09 g/mol
LogP0.45
Rot. Bonds4

About N-[2-[iodomethyl(methyl)amino]ethyl]acetamide

N-[2-[iodomethyl(methyl)amino]ethyl]acetamide (PubChem CID 142973324) has the molecular formula C6H13IN2O and a molecular weight of 256.09 g/mol. Its IUPAC name is N-[2-[iodomethyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[iodomethyl(methyl)amino]ethyl]acetamide
PubChem CID142973324
Molecular FormulaC6H13IN2O
Molecular Weight256.09 g/mol
Exact Mass256.01
IUPAC NameN-[2-[iodomethyl(methyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C)CI
InChIInChI=1S/C6H13IN2O/c1-6(10)8-3-4-9(2)5-7/h3-5H2,1-2H3,(H,8,10)
InChIKeyGATGXQABVYQCCD-UHFFFAOYSA-N
XLogP0.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
N-[2-(diacetylamino)ethyl]acetamide
CID 536138
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]acetamide
CID 79038056
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N-[2-[tert-butyl(methyl)amino]ethyl]acetamide
CID 89022551
N-[2-[2-(acetylamino)ethyl-methylamino]ethyl]acetamide;gadolinium
CID 58601951
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
CID 20708503
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[2-[iodomethyl(methyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[iodomethyl(methyl)amino]ethyl]acetamide (CID 142973324) is N-[2-[iodomethyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[iodomethyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[iodomethyl(methyl)amino]ethyl]acetamide is CC(=O)NCCN(C)CI.
What is the InChIKey of N-[2-[iodomethyl(methyl)amino]ethyl]acetamide?
The InChIKey is GATGXQABVYQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O/c1-6(10)8-3-4-9(2)5-7/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-[2-[iodomethyl(methyl)amino]ethyl]acetamide?
N-[2-[iodomethyl(methyl)amino]ethyl]acetamide has a molecular weight of 256.09 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[iodomethyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 142973324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).