N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide

C13H24BrNO — CID 102638498

IUPACN-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-13(2,3)9-12(16)15(4)11-8-6-5-7-10(11)14/h10-11H,5-9H2,1-4H3
InChIKeyNGPWTKNOLXMTOF-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.59
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide

N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide (PubChem CID 102638498) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
PubChem CID102638498
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-13(2,3)9-12(16)15(4)11-8-6-5-7-10(11)14/h10-11H,5-9H2,1-4H3
InChIKeyNGPWTKNOLXMTOF-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.59
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)-3,3,3-trifluoro-N-methylpropanamide
CID 102638433
N-(2-bromocyclohexyl)-N-methylbutanamide
CID 102638315
N-(2-bromocyclohexyl)-4,4,4-trifluoro-N-methylbutanamide
CID 102638469
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
N-(2-bromocyclohexyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 102638431
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide (CID 102638498) is N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide?
The InChIKey is NGPWTKNOLXMTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-13(2,3)9-12(16)15(4)11-8-6-5-7-10(11)14/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide?
N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide has a molecular weight of 290.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 102638498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).