N-(6-iodohexyl)-3,4,4-trimethylpentanamide

C14H28INO — CID 107848081

IUPACN-(6-iodohexyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCCCCCI)C(C)(C)C
InChIInChI=1S/C14H28INO/c1-12(14(2,3)4)11-13(17)16-10-8-6-5-7-9-15/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyGCWYWUBOCSAXJI-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.17
Rot. Bonds8

About N-(6-iodohexyl)-3,4,4-trimethylpentanamide

N-(6-iodohexyl)-3,4,4-trimethylpentanamide (PubChem CID 107848081) has the molecular formula C14H28INO and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(6-iodohexyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-3,4,4-trimethylpentanamide
PubChem CID107848081
Molecular FormulaC14H28INO
Molecular Weight353.29 g/mol
Exact Mass353.12
IUPAC NameN-(6-iodohexyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCCCCCCI)C(C)(C)C
InChIInChI=1S/C14H28INO/c1-12(14(2,3)4)11-13(17)16-10-8-6-5-7-9-15/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyGCWYWUBOCSAXJI-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.17
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-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-(6-iodohexyl)butanamide
CID 107848130
N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832411
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(6-iodohexyl)-3,4,4-trimethylpentanamide (CID 107848081) is N-(6-iodohexyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(6-iodohexyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(6-iodohexyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCCCCCCI)C(C)(C)C.
What is the InChIKey of N-(6-iodohexyl)-3,4,4-trimethylpentanamide?
The InChIKey is GCWYWUBOCSAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28INO/c1-12(14(2,3)4)11-13(17)16-10-8-6-5-7-9-15/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-(6-iodohexyl)-3,4,4-trimethylpentanamide?
N-(6-iodohexyl)-3,4,4-trimethylpentanamide has a molecular weight of 353.29 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 107848081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).