N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide

C12H22BrNO — CID 114317286

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCCC1CBr
InChIInChI=1S/C12H22BrNO/c1-2-5-12(15)14-9-11-7-4-3-6-10(11)8-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyFSFKKVQMKROAQO-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.10
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide

N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide (PubChem CID 114317286) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
PubChem CID114317286
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCCC1CBr
InChIInChI=1S/C12H22BrNO/c1-2-5-12(15)14-9-11-7-4-3-6-10(11)8-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyFSFKKVQMKROAQO-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.10
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]-3-methylsulfanylpropanamide
CID 114317161
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
N-[[2-(chloromethyl)cyclopentyl]methyl]decanamide
CID 114306695
N-[[2-(chloromethyl)cyclopentyl]methyl]octanamide
CID 113273844
N-[(2-chlorocyclohexyl)methyl]decanamide
CID 114301448

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide (CID 114317286) is N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide is CCCC(=O)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide?
The InChIKey is FSFKKVQMKROAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-2-5-12(15)14-9-11-7-4-3-6-10(11)8-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide has a molecular weight of 276.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 114317286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).