5-bromo-N-(3-methylbutan-2-yl)pentanamide

C10H20BrNO — CID 107907391

IUPAC5-bromo-N-(3-methylbutan-2-yl)pentanamide
SMILESCC(C)C(C)NC(=O)CCCCBr
InChIInChI=1S/C10H20BrNO/c1-8(2)9(3)12-10(13)6-4-5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyKRFRQWGFOPGXEM-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.71
Rot. Bonds6

About 5-bromo-N-(3-methylbutan-2-yl)pentanamide

5-bromo-N-(3-methylbutan-2-yl)pentanamide (PubChem CID 107907391) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-bromo-N-(3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylbutan-2-yl)pentanamide
PubChem CID107907391
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name5-bromo-N-(3-methylbutan-2-yl)pentanamide
SMILESCC(C)C(C)NC(=O)CCCCBr
InChIInChI=1S/C10H20BrNO/c1-8(2)9(3)12-10(13)6-4-5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyKRFRQWGFOPGXEM-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.71
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

7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
2-(7-bromoheptanoylamino)-3-hydroxybutanoic acid
CID 21126350
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
5-bromo-N-methylpentanamide
CID 19971018
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
N-(1-bromo-3-methylbutan-2-yl)dodecanamide
CID 114316280
2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
CID 107908629
5-bromo-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 107910353
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
N,N'-di(propan-2-yl)decanediamide
CID 58997511
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylbutan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(3-methylbutan-2-yl)pentanamide (CID 107907391) is 5-bromo-N-(3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-methylbutan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-methylbutan-2-yl)pentanamide is CC(C)C(C)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3-methylbutan-2-yl)pentanamide?
The InChIKey is KRFRQWGFOPGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-8(2)9(3)12-10(13)6-4-5-7-11/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-methylbutan-2-yl)pentanamide?
5-bromo-N-(3-methylbutan-2-yl)pentanamide has a molecular weight of 250.18 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 107907391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).