N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

C13H24BrNO — CID 103969722

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-12(2,3)11(16)15-10-13(9-14)7-5-4-6-8-13/h4-10H2,1-3H3,(H,15,16)
InChIKeyMTIITBPENBVSBO-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.49
Rot. Bonds3

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (PubChem CID 103969722) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
PubChem CID103969722
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-12(2,3)11(16)15-10-13(9-14)7-5-4-6-8-13/h4-10H2,1-3H3,(H,15,16)
InChIKeyMTIITBPENBVSBO-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.49
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-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-methylpropanamide
CID 106509811
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide (CID 103969722) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is MTIITBPENBVSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-12(2,3)11(16)15-10-13(9-14)7-5-4-6-8-13/h4-10H2,1-3H3,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 290.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103969722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).