N-(2-bromocyclohexyl)-N-methylbutanamide

C11H20BrNO — CID 102638315

IUPACN-(2-bromocyclohexyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C11H20BrNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h9-10H,3-8H2,1-2H3
InChIKeyKMSWJXPMDZJFBE-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.95
Rot. Bonds3

About N-(2-bromocyclohexyl)-N-methylbutanamide

N-(2-bromocyclohexyl)-N-methylbutanamide (PubChem CID 102638315) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methylbutanamide
PubChem CID102638315
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(2-bromocyclohexyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C11H20BrNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h9-10H,3-8H2,1-2H3
InChIKeyKMSWJXPMDZJFBE-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.95
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)-4,4,4-trifluoro-N-methylbutanamide
CID 102638469
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-3-(oxolan-2-yl)propanamide
CID 102638421
N-(2-bromocyclohexyl)-N-methylacetamide
CID 102638316
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
3-(ethylamino)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 62835112

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methylbutanamide?
The IUPAC name of N-(2-bromocyclohexyl)-N-methylbutanamide (CID 102638315) is N-(2-bromocyclohexyl)-N-methylbutanamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methylbutanamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methylbutanamide is CCCC(=O)N(C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methylbutanamide?
The InChIKey is KMSWJXPMDZJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-3-6-11(14)13(2)10-8-5-4-7-9(10)12/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methylbutanamide?
N-(2-bromocyclohexyl)-N-methylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methylbutanamide is sourced from PubChem (CID 102638315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).