N-(2-bromoethyl)-N,2-dimethylbutanamide

C8H16BrNO — CID 80658346

IUPACN-(2-bromoethyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CCBr
InChIInChI=1S/C8H16BrNO/c1-4-7(2)8(11)10(3)6-5-9/h7H,4-6H2,1-3H3
InChIKeyRVFWOYPPSJURIJ-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.89
Rot. Bonds4

About N-(2-bromoethyl)-N,2-dimethylbutanamide

N-(2-bromoethyl)-N,2-dimethylbutanamide (PubChem CID 80658346) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N,2-dimethylbutanamide
PubChem CID80658346
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC NameN-(2-bromoethyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CCBr
InChIInChI=1S/C8H16BrNO/c1-4-7(2)8(11)10(3)6-5-9/h7H,4-6H2,1-3H3
InChIKeyRVFWOYPPSJURIJ-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.89
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

N,2-dimethyl-N-propylbutanamide
CID 89368936
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N,2-dimethylbutanamide
CID 155707433
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
CID 80658652
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(2-bromoethyl)-2-methyl-N-propan-2-ylpentanamide
CID 80666613

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N,2-dimethylbutanamide?
The IUPAC name of N-(2-bromoethyl)-N,2-dimethylbutanamide (CID 80658346) is N-(2-bromoethyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-(2-bromoethyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-(2-bromoethyl)-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N,2-dimethylbutanamide?
The InChIKey is RVFWOYPPSJURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-4-7(2)8(11)10(3)6-5-9/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N,2-dimethylbutanamide?
N-(2-bromoethyl)-N,2-dimethylbutanamide has a molecular weight of 222.13 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 80658346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).