2-(1-iodoethyl)-4,4-dimethylpentanamide

C9H18INO — CID 159720292

IUPAC2-(1-iodoethyl)-4,4-dimethylpentanamide
SMILESCC(I)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C9H18INO/c1-6(10)7(8(11)12)5-9(2,3)4/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyMZYIJPQWPABLEF-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.35
Rot. Bonds3

About 2-(1-iodoethyl)-4,4-dimethylpentanamide

2-(1-iodoethyl)-4,4-dimethylpentanamide (PubChem CID 159720292) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is 2-(1-iodoethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(1-iodoethyl)-4,4-dimethylpentanamide
PubChem CID159720292
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name2-(1-iodoethyl)-4,4-dimethylpentanamide
SMILESCC(I)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C9H18INO/c1-6(10)7(8(11)12)5-9(2,3)4/h6-7H,5H2,1-4H3,(H2,11,12)
InChIKeyMZYIJPQWPABLEF-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
(2S)-2-[(E)-but-2-enyl]-3-(2,2-dimethylpropyl)-N'-iodobutanediamide
CID 142005588
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
2-(2,2-dimethylpropyl)butanediamide
CID 88719248
2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)
CID 161214648
(2R)-4-iodo-2-propan-2-ylpentanamide
CID 89289820
2-(2,2-dimethylpropyl)-3,3-dimethylhexanamide
CID 143920647
[3-(carbamoylamino)-2-hydroxypropyl] 2-(2,2-dimethylpropyl)-3-iodo-4-methylpentanoate
CID 138701625
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
CID 144616082
4-hydroxy-2,4-dimethylpentanamide
CID 89306477

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(1-iodoethyl)-4,4-dimethylpentanamide (CID 159720292) is 2-(1-iodoethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(1-iodoethyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(1-iodoethyl)-4,4-dimethylpentanamide is CC(I)C(CC(C)(C)C)C(N)=O.
What is the InChIKey of 2-(1-iodoethyl)-4,4-dimethylpentanamide?
The InChIKey is MZYIJPQWPABLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18INO/c1-6(10)7(8(11)12)5-9(2,3)4/h6-7H,5H2,1-4H3,(H2,11,12).
What are the key properties of 2-(1-iodoethyl)-4,4-dimethylpentanamide?
2-(1-iodoethyl)-4,4-dimethylpentanamide has a molecular weight of 283.15 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 159720292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).