4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine

C11H22BrNO — CID 65000043

IUPAC4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine
SMILESCCC(CBr)CN1CC(C)OCC1C
InChIInChI=1S/C11H22BrNO/c1-4-11(5-12)7-13-6-10(3)14-8-9(13)2/h9-11H,4-8H2,1-3H3
InChIKeyQFUGHNQUSUHNJE-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds4

About 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine

4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine (PubChem CID 65000043) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine
PubChem CID65000043
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine
SMILESCCC(CBr)CN1CC(C)OCC1C
InChIInChI=1S/C11H22BrNO/c1-4-11(5-12)7-13-6-10(3)14-8-9(13)2/h9-11H,4-8H2,1-3H3
InChIKeyQFUGHNQUSUHNJE-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
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-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine (CID 65000043) is 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine is CCC(CBr)CN1CC(C)OCC1C.
What is the InChIKey of 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine?
The InChIKey is QFUGHNQUSUHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-11(5-12)7-13-6-10(3)14-8-9(13)2/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine?
4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 65000043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).