N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide

C13H24BrNO — CID 114312233

IUPACN-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-11-7-5-6-8-12(11)14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyHVMDNWBTPFUYPP-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide

N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide (PubChem CID 114312233) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
PubChem CID114312233
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-11-7-5-6-8-12(11)14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyHVMDNWBTPFUYPP-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
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-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethylbutanamide
CID 114307011
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(2-bromocyclohexyl)methyl]-2-phenylbutanamide
CID 114312339
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-propylpentanamide
CID 82986917
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide (CID 114312233) is N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide?
The InChIKey is HVMDNWBTPFUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-3-10(4-2)13(16)15-9-11-7-5-6-8-12(11)14/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide?
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide has a molecular weight of 290.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 114312233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).