N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide

C13H26BrNO — CID 107156655

IUPACN-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC(Br)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-9(2)10(3)12(16)15-8-11(14)7-13(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16)
InChIKeyPWSKSFLAJXMMBL-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.59
Rot. Bonds5

About N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide

N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide (PubChem CID 107156655) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
PubChem CID107156655
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCC(Br)CC(C)(C)C
InChIInChI=1S/C13H26BrNO/c1-9(2)10(3)12(16)15-8-11(14)7-13(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16)
InChIKeyPWSKSFLAJXMMBL-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.59
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
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
N-(2-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107156438
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115364703
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
CID 163905710
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide (CID 107156655) is N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCC(Br)CC(C)(C)C.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide?
The InChIKey is PWSKSFLAJXMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-9(2)10(3)12(16)15-8-11(14)7-13(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,16).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide?
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide has a molecular weight of 292.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide is sourced from PubChem (CID 107156655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).