(E)-6-iodo-2,2-dimethylhex-5-enamide

C8H14INO — CID 102385891

IUPAC(E)-6-iodo-2,2-dimethylhex-5-enamide
SMILESCC(C)(CC/C=C/I)C(N)=O
InChIInChI=1S/C8H14INO/c1-8(2,7(10)11)5-3-4-6-9/h4,6H,3,5H2,1-2H3,(H2,10,11)/b6-4+
InChIKeyDVQLTUFNJXNJTH-GQCTYLIASA-N
MW267.11 g/mol
LogP2.23
Rot. Bonds4

About (E)-6-iodo-2,2-dimethylhex-5-enamide

(E)-6-iodo-2,2-dimethylhex-5-enamide (PubChem CID 102385891) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is (E)-6-iodo-2,2-dimethylhex-5-enamide.

Molecular Properties

Compound Name(E)-6-iodo-2,2-dimethylhex-5-enamide
PubChem CID102385891
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name(E)-6-iodo-2,2-dimethylhex-5-enamide
SMILESCC(C)(CC/C=C/I)C(N)=O
InChIInChI=1S/C8H14INO/c1-8(2,7(10)11)5-3-4-6-9/h4,6H,3,5H2,1-2H3,(H2,10,11)/b6-4+
InChIKeyDVQLTUFNJXNJTH-GQCTYLIASA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6-iodo-2,2-dimethylhex-5-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyloct-5-enamide
CID 174985624
4-amino-2,2-dimethylbutanamide
CID 23366310
2,2-dimethylicos-11-enamide
CID 57244584
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
2,2,4,4-tetramethyloctanamide
CID 89265851
2,2-dimethyldecanamide
CID 22596903
2,2-dimethylhexadecanamide
CID 23297438
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2,2-dimethyl-3-methylsulfanylpropanamide
CID 89453216
2,2,4,4-tetramethyl-6-oxohexanamide
CID 176713396

Frequently Asked Questions

What is the IUPAC name of (E)-6-iodo-2,2-dimethylhex-5-enamide?
The IUPAC name of (E)-6-iodo-2,2-dimethylhex-5-enamide (CID 102385891) is (E)-6-iodo-2,2-dimethylhex-5-enamide.
What is the SMILES notation for (E)-6-iodo-2,2-dimethylhex-5-enamide?
The canonical SMILES for (E)-6-iodo-2,2-dimethylhex-5-enamide is CC(C)(CC/C=C/I)C(N)=O.
What is the InChIKey of (E)-6-iodo-2,2-dimethylhex-5-enamide?
The InChIKey is DVQLTUFNJXNJTH-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14INO/c1-8(2,7(10)11)5-3-4-6-9/h4,6H,3,5H2,1-2H3,(H2,10,11)/b6-4+.
What are the key properties of (E)-6-iodo-2,2-dimethylhex-5-enamide?
(E)-6-iodo-2,2-dimethylhex-5-enamide has a molecular weight of 267.11 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-iodo-2,2-dimethylhex-5-enamide is sourced from PubChem (CID 102385891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).