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

C12H22BrNO — CID 65001408

IUPAC4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine
SMILESCC1CN(CC2(CBr)CCCC2)CCO1
InChIInChI=1S/C12H22BrNO/c1-11-8-14(6-7-15-11)10-12(9-13)4-2-3-5-12/h11H,2-10H2,1H3
InChIKeyBPANINAOJUVLJY-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.66
Rot. Bonds3

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

4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine (PubChem CID 65001408) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine
PubChem CID65001408
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine
SMILESCC1CN(CC2(CBr)CCCC2)CCO1
InChIInChI=1S/C12H22BrNO/c1-11-8-14(6-7-15-11)10-12(9-13)4-2-3-5-12/h11H,2-10H2,1H3
InChIKeyBPANINAOJUVLJY-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.66
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-methylmorpholine?
The IUPAC name of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine (CID 65001408) is 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine?
The canonical SMILES for 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine is CC1CN(CC2(CBr)CCCC2)CCO1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine?
The InChIKey is BPANINAOJUVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-11-8-14(6-7-15-11)10-12(9-13)4-2-3-5-12/h11H,2-10H2,1H3.
What are the key properties of 4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine?
4-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylmorpholine has a molecular weight of 276.22 g/mol, XLogP of 2.66, 3 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-methylmorpholine is sourced from PubChem (CID 65001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).