(2S)-2-bromo-N,N-dimethylbutanamide

C6H12BrNO — CID 92939009

IUPAC(2S)-2-bromo-N,N-dimethylbutanamide
SMILESCC[C@H](Br)C(=O)N(C)C
InChIInChI=1S/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNNWWOIPEHSLORU-YFKPBYRVSA-N
MW194.07 g/mol
LogP1.25
Rot. Bonds2

About (2S)-2-bromo-N,N-dimethylbutanamide

(2S)-2-bromo-N,N-dimethylbutanamide (PubChem CID 92939009) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is (2S)-2-bromo-N,N-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N,N-dimethylbutanamide
PubChem CID92939009
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name(2S)-2-bromo-N,N-dimethylbutanamide
SMILESCC[C@H](Br)C(=O)N(C)C
InChIInChI=1S/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNNWWOIPEHSLORU-YFKPBYRVSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63964443
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
CID 62854357
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
2-bromo-N,N-bis(prop-2-ynyl)butanamide
CID 163668178
2-fluoro-N,N-dimethylbutanamide
CID 14592376
2-amino-N,N-dimethylbutanamide
CID 43649466
N-(2-adamantyl)-2-bromo-N-methylbutanamide
CID 55126314
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
(2S)-2-bromobutanamide
CID 51414846
2-bromobutanoic acid;hydrochloride
CID 87779370
4-bromohexan-3-one
CID 119097290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N,N-dimethylbutanamide?
The IUPAC name of (2S)-2-bromo-N,N-dimethylbutanamide (CID 92939009) is (2S)-2-bromo-N,N-dimethylbutanamide.
What is the SMILES notation for (2S)-2-bromo-N,N-dimethylbutanamide?
The canonical SMILES for (2S)-2-bromo-N,N-dimethylbutanamide is CC[C@H](Br)C(=O)N(C)C.
What is the InChIKey of (2S)-2-bromo-N,N-dimethylbutanamide?
The InChIKey is NNWWOIPEHSLORU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-2-bromo-N,N-dimethylbutanamide?
(2S)-2-bromo-N,N-dimethylbutanamide has a molecular weight of 194.07 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N,N-dimethylbutanamide is sourced from PubChem (CID 92939009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).