N-(1-bromo-2-methylbutan-2-yl)hexanamide

C11H22BrNO — CID 114314353

IUPACN-(1-bromo-2-methylbutan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(CC)CBr
InChIInChI=1S/C11H22BrNO/c1-4-6-7-8-10(14)13-11(3,5-2)9-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyVPOGEKUMORJULY-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.25
Rot. Bonds7

About N-(1-bromo-2-methylbutan-2-yl)hexanamide

N-(1-bromo-2-methylbutan-2-yl)hexanamide (PubChem CID 114314353) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)hexanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)hexanamide
PubChem CID114314353
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)hexanamide
SMILESCCCCCC(=O)NC(C)(CC)CBr
InChIInChI=1S/C11H22BrNO/c1-4-6-7-8-10(14)13-11(3,5-2)9-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyVPOGEKUMORJULY-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.25
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-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
N-(2-amino-3-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 18521143

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)hexanamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)hexanamide (CID 114314353) is N-(1-bromo-2-methylbutan-2-yl)hexanamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)hexanamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)hexanamide is CCCCCC(=O)NC(C)(CC)CBr.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)hexanamide?
The InChIKey is VPOGEKUMORJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-6-7-8-10(14)13-11(3,5-2)9-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)hexanamide?
N-(1-bromo-2-methylbutan-2-yl)hexanamide has a molecular weight of 264.21 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)hexanamide is sourced from PubChem (CID 114314353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).