N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide

C13H26BrNO — CID 106356146

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-10(2)6-7-12(16)15-11(8-9-14)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyZIHMICWIRYCVJC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds6

About N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide (PubChem CID 106356146) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
PubChem CID106356146
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(CCBr)C(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-10(2)6-7-12(16)15-11(8-9-14)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyZIHMICWIRYCVJC-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 106356267
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 106356177
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylbutane-1-sulfonamide
CID 106356613
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide (CID 106356146) is N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide is CC(C)CCC(=O)NC(CCBr)C(C)(C)C.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
The InChIKey is ZIHMICWIRYCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-10(2)6-7-12(16)15-11(8-9-14)13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-4-methylpentanamide is sourced from PubChem (CID 106356146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).