N-(6-iodohexyl)-3,3-dimethylbutanamide

C12H24INO — CID 107848022

IUPACN-(6-iodohexyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCCCI
InChIInChI=1S/C12H24INO/c1-12(2,3)10-11(15)14-9-7-5-4-6-8-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyDJFRFQIIVHDBNN-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.53
Rot. Bonds7

About N-(6-iodohexyl)-3,3-dimethylbutanamide

N-(6-iodohexyl)-3,3-dimethylbutanamide (PubChem CID 107848022) has the molecular formula C12H24INO and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(6-iodohexyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-3,3-dimethylbutanamide
PubChem CID107848022
Molecular FormulaC12H24INO
Molecular Weight325.23 g/mol
Exact Mass325.09
IUPAC NameN-(6-iodohexyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCCCI
InChIInChI=1S/C12H24INO/c1-12(2,3)10-11(15)14-9-7-5-4-6-8-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyDJFRFQIIVHDBNN-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
N-(6-iodohexyl)butanamide
CID 107848130
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
N-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
N-(4-iodobutyl)carbamoyl iodide
CID 126602978

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6-iodohexyl)-3,3-dimethylbutanamide (CID 107848022) is N-(6-iodohexyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-iodohexyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-iodohexyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)-3,3-dimethylbutanamide?
The InChIKey is DJFRFQIIVHDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24INO/c1-12(2,3)10-11(15)14-9-7-5-4-6-8-13/h4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(6-iodohexyl)-3,3-dimethylbutanamide?
N-(6-iodohexyl)-3,3-dimethylbutanamide has a molecular weight of 325.23 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 107848022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).