N-(6-iodohexyl)-2,2-dimethylbutanamide

C12H24INO — CID 107848483

IUPACN-(6-iodohexyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCCCI
InChIInChI=1S/C12H24INO/c1-4-12(2,3)11(15)14-10-8-6-5-7-9-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyFSVGSAISEVOALD-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.53
Rot. Bonds8

About N-(6-iodohexyl)-2,2-dimethylbutanamide

N-(6-iodohexyl)-2,2-dimethylbutanamide (PubChem CID 107848483) has the molecular formula C12H24INO and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(6-iodohexyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-2,2-dimethylbutanamide
PubChem CID107848483
Molecular FormulaC12H24INO
Molecular Weight325.23 g/mol
Exact Mass325.09
IUPAC NameN-(6-iodohexyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCCCCI
InChIInChI=1S/C12H24INO/c1-4-12(2,3)11(15)14-10-8-6-5-7-9-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyFSVGSAISEVOALD-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(6-iodohexyl)butanamide
CID 107848130
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide
CID 160586570
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(6-iodohexyl)-2,2-dimethylbutanamide (CID 107848483) is N-(6-iodohexyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(6-iodohexyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(6-iodohexyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)-2,2-dimethylbutanamide?
The InChIKey is FSVGSAISEVOALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24INO/c1-4-12(2,3)11(15)14-10-8-6-5-7-9-13/h4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(6-iodohexyl)-2,2-dimethylbutanamide?
N-(6-iodohexyl)-2,2-dimethylbutanamide has a molecular weight of 325.23 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 107848483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).