N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide

C13H26BrNO — CID 106288532

IUPACN-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
SMILESCCC(CC)C(Br)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyLAHMHIGDUZTNDP-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.74
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide

N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide (PubChem CID 106288532) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
PubChem CID106288532
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide
SMILESCCC(CC)C(Br)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeyLAHMHIGDUZTNDP-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
N-(2-bromo-3-ethylpentyl)hexanamide
CID 106287879
N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042
methyl 2-bromo-3-(3,3-dimethylbutanoylamino)propanoate
CID 103492399
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
CID 114315961
N-(2-amino-3-ethylpentyl)-3-methoxy-3-methylbutanamide
CID 106286145
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 114168757
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide;ethane
CID 142322932
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide (CID 106288532) is N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide is CCC(CC)C(Br)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide?
The InChIKey is LAHMHIGDUZTNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-6-10(7-2)11(14)9-15-12(16)8-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide?
N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106288532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).