4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine

C13H24BrNO — CID 65001001

IUPAC4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine
SMILESCCC1CN(CC2(CBr)CCCC2)CCO1
InChIInChI=1S/C13H24BrNO/c1-2-12-9-15(7-8-16-12)11-13(10-14)5-3-4-6-13/h12H,2-11H2,1H3
InChIKeyGLMIPRQJJAVERB-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.05
Rot. Bonds4

About 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine

4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine (PubChem CID 65001001) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine
PubChem CID65001001
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine
SMILESCCC1CN(CC2(CBr)CCCC2)CCO1
InChIInChI=1S/C13H24BrNO/c1-2-12-9-15(7-8-16-12)11-13(10-14)5-3-4-6-13/h12H,2-11H2,1H3
InChIKeyGLMIPRQJJAVERB-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine?
The IUPAC name of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine (CID 65001001) is 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine?
The canonical SMILES for 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine is CCC1CN(CC2(CBr)CCCC2)CCO1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine?
The InChIKey is GLMIPRQJJAVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-2-12-9-15(7-8-16-12)11-13(10-14)5-3-4-6-13/h12H,2-11H2,1H3.
What are the key properties of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine?
4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine has a molecular weight of 290.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethylmorpholine is sourced from PubChem (CID 65001001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).