N-(5-bromo-4-methylpentyl)-3-methylpentanamide

C12H24BrNO — CID 106157951

IUPACN-(5-bromo-4-methylpentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWLJQIZFGJWIMSN-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.35
Rot. Bonds8

About N-(5-bromo-4-methylpentyl)-3-methylpentanamide

N-(5-bromo-4-methylpentyl)-3-methylpentanamide (PubChem CID 106157951) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-3-methylpentanamide
PubChem CID106157951
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(5-bromo-4-methylpentyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCCC(C)CBr
InChIInChI=1S/C12H24BrNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyWLJQIZFGJWIMSN-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
N-(5-bromo-4-methylpentyl)hexanamide
CID 106157334
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985
4-bromo-3-methyl-N-[2-(propanoylamino)ethyl]butanamide
CID 91498836
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-3-methylpentanamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-3-methylpentanamide (CID 106157951) is N-(5-bromo-4-methylpentyl)-3-methylpentanamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-3-methylpentanamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-3-methylpentanamide is CCC(C)CC(=O)NCCCC(C)CBr.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-3-methylpentanamide?
The InChIKey is WLJQIZFGJWIMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-10(2)8-12(15)14-7-5-6-11(3)9-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methylpentyl)-3-methylpentanamide?
N-(5-bromo-4-methylpentyl)-3-methylpentanamide has a molecular weight of 278.23 g/mol, XLogP of 3.35, 8 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)-3-methylpentanamide is sourced from PubChem (CID 106157951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).