(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,N,3-trimethylbutanamide
CID 547487
2-Bromo-N,N,2-trimethylpropanamide
CID 12475644
3-Bromo-N,N-dimethylpropanamide
CID 23033749
2-Bromo-N,N-dimethylbutanamide
CID 3016061
2,3-dibromo-N,N-dimethylpropanamide
CID 11299911
2-Bromo-N,N-dimethylpropanamide
CID 11367348
2,3-Dibromopropionic acid butylmethylamide
CID 153408973
4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 122239593
(3R)-4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 129562732
(3S)-4-bromo-3-fluoro-N,N-dimethylbutanamide
CID 129562733
2-bromo-N,N-diethylbutanamide
CID 11096175
4-bromo-N,N-dimethylbutanamide
CID 12078378

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).