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

C15H26BrNO — CID 114317429

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c16-10-13-7-3-4-8-14(13)11-17-15(18)9-12-5-1-2-6-12/h12-14H,1-11H2,(H,17,18)
InChIKeyCFEOBGQIPYJTOE-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.88
Rot. Bonds5

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

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide (PubChem CID 114317429) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
PubChem CID114317429
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c16-10-13-7-3-4-8-14(13)11-17-15(18)9-12-5-1-2-6-12/h12-14H,1-11H2,(H,17,18)
InChIKeyCFEOBGQIPYJTOE-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.88
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-cyclobutylacetamide
CID 103166815
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(thian-4-yl)acetamide
CID 83135748
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
CID 114317161
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114317365

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide (CID 114317429) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide?
The InChIKey is CFEOBGQIPYJTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c16-10-13-7-3-4-8-14(13)11-17-15(18)9-12-5-1-2-6-12/h12-14H,1-11H2,(H,17,18).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide has a molecular weight of 316.28 g/mol, XLogP of 3.88, 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]-2-cyclopentylacetamide is sourced from PubChem (CID 114317429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).