2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide

C13H24BrNO — CID 60949131

IUPAC2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Br)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C13H24BrNO/c1-9(2)12(14)13(16)15(4)11-8-6-5-7-10(11)3/h9-12H,5-8H2,1-4H3
InChIKeyDYXHTYPCOIVRFT-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.44
Rot. Bonds3

About 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide

2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 60949131) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide
PubChem CID60949131
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(C)C(Br)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C13H24BrNO/c1-9(2)12(14)13(16)15(4)11-8-6-5-7-10(11)3/h9-12H,5-8H2,1-4H3
InChIKeyDYXHTYPCOIVRFT-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.44
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-cyclopentyl-N,3-dimethylbutanamide
CID 43267096
2-methoxy-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112685758
ethyl 3,3-dimethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]butanoate
CID 116537931
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
CID 62364792
S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate
CID 21318327
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 24704184
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
CID 62877491
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62879130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide (CID 60949131) is 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide is CC(C)C(Br)C(=O)N(C)C1CCCCC1C.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is DYXHTYPCOIVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-9(2)12(14)13(16)15(4)11-8-6-5-7-10(11)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide?
2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 290.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 60949131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).