N-(2-bromocyclohexyl)-N-methylacetamide

C9H16BrNO — CID 102638316

IUPACN-(2-bromocyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C9H16BrNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3
InChIKeyQMYBWSPYQIAZQO-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.17
Rot. Bonds1

About N-(2-bromocyclohexyl)-N-methylacetamide

N-(2-bromocyclohexyl)-N-methylacetamide (PubChem CID 102638316) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methylacetamide
PubChem CID102638316
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(2-bromocyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C9H16BrNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3
InChIKeyQMYBWSPYQIAZQO-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.17
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-bromocyclohexyl)-N-methylbutanamide
CID 102638315
N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
CID 102638498
N-(2-bromocyclohexyl)-3,3,3-trifluoro-N-methylpropanamide
CID 102638433
N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 102638431
N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
CID 102638469
N-(2-aminocyclopentyl)-N-methylacetamide
CID 166978021
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 59918965
N-methyl-N-[(2S)-2-(methylamino)cyclopentyl]acetamide
CID 121478943
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methylacetamide?
The IUPAC name of N-(2-bromocyclohexyl)-N-methylacetamide (CID 102638316) is N-(2-bromocyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methylacetamide is CC(=O)N(C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methylacetamide?
The InChIKey is QMYBWSPYQIAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-7(12)11(2)9-6-4-3-5-8(9)10/h8-9H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methylacetamide?
N-(2-bromocyclohexyl)-N-methylacetamide has a molecular weight of 234.14 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102638316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).