N-(6-iodohexyl)butanamide

C10H20INO — CID 107848130

IUPACN-(6-iodohexyl)butanamide
SMILESCCCC(=O)NCCCCCCI
InChIInChI=1S/C10H20INO/c1-2-7-10(13)12-9-6-4-3-5-8-11/h2-9H2,1H3,(H,12,13)
InChIKeyYHGHUTSSMKTPMJ-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.90
Rot. Bonds8

About N-(6-iodohexyl)butanamide

N-(6-iodohexyl)butanamide (PubChem CID 107848130) has the molecular formula C10H20INO and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(6-iodohexyl)butanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)butanamide
PubChem CID107848130
Molecular FormulaC10H20INO
Molecular Weight297.18 g/mol
Exact Mass297.06
IUPAC NameN-(6-iodohexyl)butanamide
SMILESCCCC(=O)NCCCCCCI
InChIInChI=1S/C10H20INO/c1-2-7-10(13)12-9-6-4-3-5-8-11/h2-9H2,1H3,(H,12,13)
InChIKeyYHGHUTSSMKTPMJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.90
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-[3-(6-iodohexylamino)-3-oxopropyl]butanamide
CID 167061555
N-(3-iodopropyl)butanamide
CID 114504418
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-hexyl-5-(3-iodopropanoylamino)pentanamide
CID 130360979
16-(butanoylamino)hexadecanoic acid
CID 118711043
N-(4-acetamidobutyl)butanamide
CID 110417477
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-[5-[2-(5-acetamidopentyl)hydrazinyl]pentyl]butanamide
CID 57022282
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)butanamide?
The IUPAC name of N-(6-iodohexyl)butanamide (CID 107848130) is N-(6-iodohexyl)butanamide.
What is the SMILES notation for N-(6-iodohexyl)butanamide?
The canonical SMILES for N-(6-iodohexyl)butanamide is CCCC(=O)NCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)butanamide?
The InChIKey is YHGHUTSSMKTPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO/c1-2-7-10(13)12-9-6-4-3-5-8-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-(6-iodohexyl)butanamide?
N-(6-iodohexyl)butanamide has a molecular weight of 297.18 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)butanamide is sourced from PubChem (CID 107848130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).