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

C10H18BrNO — CID 65013718

IUPAC4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine
SMILESCC1CN(CC2(CBr)CC2)CCO1
InChIInChI=1S/C10H18BrNO/c1-9-6-12(4-5-13-9)8-10(7-11)2-3-10/h9H,2-8H2,1H3
InChIKeyUJXWPWJORGNROJ-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.88
Rot. Bonds3

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

4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine (PubChem CID 65013718) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine
PubChem CID65013718
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine
SMILESCC1CN(CC2(CBr)CC2)CCO1
InChIInChI=1S/C10H18BrNO/c1-9-6-12(4-5-13-9)8-10(7-11)2-3-10/h9H,2-8H2,1H3
InChIKeyUJXWPWJORGNROJ-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine?
The IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine (CID 65013718) is 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine?
The canonical SMILES for 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine is CC1CN(CC2(CBr)CC2)CCO1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine?
The InChIKey is UJXWPWJORGNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9-6-12(4-5-13-9)8-10(7-11)2-3-10/h9H,2-8H2,1H3.
What are the key properties of 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine?
4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine has a molecular weight of 248.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylmorpholine is sourced from PubChem (CID 65013718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).