N-(1-bromo-4-methylpentan-3-yl)hexanamide

C12H24BrNO — CID 106355062

IUPACN-(1-bromo-4-methylpentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(CCBr)C(C)C
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-12(15)14-11(8-9-13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyOWEXABSMWUHOCI-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.49
Rot. Bonds8

About N-(1-bromo-4-methylpentan-3-yl)hexanamide

N-(1-bromo-4-methylpentan-3-yl)hexanamide (PubChem CID 106355062) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)hexanamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)hexanamide
PubChem CID106355062
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(CCBr)C(C)C
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-12(15)14-11(8-9-13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyOWEXABSMWUHOCI-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.49
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-3-methylbutan-2-yl)dodecanamide
CID 114316280
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-(1-chloro-3-methylbutan-2-yl)hexanamide
CID 114305402
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-pentan-2-ylundecanamide
CID 173258559
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxybutyl)decanamide
CID 87762139
N-octadecan-2-ylhexadecanamide
CID 87600664
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)hexanamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)hexanamide (CID 106355062) is N-(1-bromo-4-methylpentan-3-yl)hexanamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)hexanamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)hexanamide is CCCCCC(=O)NC(CCBr)C(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)hexanamide?
The InChIKey is OWEXABSMWUHOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-5-6-7-12(15)14-11(8-9-13)10(2)3/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)hexanamide?
N-(1-bromo-4-methylpentan-3-yl)hexanamide has a molecular weight of 278.23 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)hexanamide is sourced from PubChem (CID 106355062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).