N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide

C12H24BrNO — CID 106157342

IUPACN-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-5-12(3,4)11(15)14-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyRNJMGPHNXUJEEZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.35
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide

N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide (PubChem CID 106157342) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
PubChem CID106157342
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-5-12(3,4)11(15)14-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyRNJMGPHNXUJEEZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.35
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'}

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Related Compounds

N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106156757

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide (CID 106157342) is N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCCC(C)CBr.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide?
The InChIKey is RNJMGPHNXUJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-5-12(3,4)11(15)14-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide?
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide has a molecular weight of 278.23 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 106157342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).