2-bromo-N-cyclohexyl-3-methylbutanamide

C11H20BrNO — CID 15437231

IUPAC2-bromo-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyZKRGSPYOITYVDP-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-N-cyclohexyl-3-methylbutanamide

2-bromo-N-cyclohexyl-3-methylbutanamide (PubChem CID 15437231) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-3-methylbutanamide
PubChem CID15437231
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-cyclohexyl-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NC1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyZKRGSPYOITYVDP-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.85
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-cyclohexyl-3-methylbutanamide
CID 233660
2-bromo-N-cyclopentyl-3-methylbutanamide
CID 24691712
2-bromo-N-(butan-2-yl)-3-methylbutanamide
CID 24692066
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 24704184
2-bromo-N-cycloheptyl-3-methylbutanamide
CID 43244716
N-cyclohexyl-2-ethylbutanamide
CID 3617883
N-cyclohexyl-2-methylbutanamide
CID 4473849
3-bromo-N-cyclohexylpropanamide
CID 4665126
2,2-Dibromo-N-cyclohexyl-1-methylcyclopropanecarboxamide
CID 543318
N-(4-Bromo-cyclohexyl)-acetamide
CID 316467
2-Bromo-N-cyclohexylpropanamide
CID 16481436
2-bromo-N-hexylbutanamide
CID 62854458

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-3-methylbutanamide?
The IUPAC name of 2-bromo-N-cyclohexyl-3-methylbutanamide (CID 15437231) is 2-bromo-N-cyclohexyl-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-3-methylbutanamide is CC(C)C(Br)C(=O)NC1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-3-methylbutanamide?
The InChIKey is ZKRGSPYOITYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-cyclohexyl-3-methylbutanamide?
2-bromo-N-cyclohexyl-3-methylbutanamide has a molecular weight of 262.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-3-methylbutanamide is sourced from PubChem (CID 15437231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).