N-(5-bromo-4-methylpentyl)hexanamide

C12H24BrNO — CID 106157334

IUPACN-(5-bromo-4-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyTWYSATNURWXVEJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.49
Rot. Bonds9

About N-(5-bromo-4-methylpentyl)hexanamide

N-(5-bromo-4-methylpentyl)hexanamide (PubChem CID 106157334) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)hexanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)hexanamide
PubChem CID106157334
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(5-bromo-4-methylpentyl)hexanamide
SMILESCCCCCC(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyTWYSATNURWXVEJ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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-(5-amino-4-methylpentyl)hexanamide
CID 57163193
N-(4-bromopentyl)heptanamide
CID 106131403
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-(4-ethylhexyl)hexanamide
CID 155589140
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-hexyl-6-methylheptanamide
CID 141197249
N-nonyltridecanamide
CID 154228217
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)hexanamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)hexanamide (CID 106157334) is N-(5-bromo-4-methylpentyl)hexanamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)hexanamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)hexanamide is CCCCCC(=O)NCCCC(C)CBr.
What is the InChIKey of N-(5-bromo-4-methylpentyl)hexanamide?
The InChIKey is TWYSATNURWXVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-3-4-5-8-12(15)14-9-6-7-11(2)10-13/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methylpentyl)hexanamide?
N-(5-bromo-4-methylpentyl)hexanamide has a molecular weight of 278.23 g/mol, XLogP of 3.49, 9 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)hexanamide is sourced from PubChem (CID 106157334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).