4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine

C13H26BrNO — CID 64999076

IUPAC4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine
SMILESCCC1CN(CC(CC)(CC)CBr)CCO1
InChIInChI=1S/C13H26BrNO/c1-4-12-9-15(7-8-16-12)11-13(5-2,6-3)10-14/h12H,4-11H2,1-3H3
InChIKeyPXQDCDUBIGVUQR-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.30
Rot. Bonds6

About 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine

4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine (PubChem CID 64999076) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine
PubChem CID64999076
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine
SMILESCCC1CN(CC(CC)(CC)CBr)CCO1
InChIInChI=1S/C13H26BrNO/c1-4-12-9-15(7-8-16-12)11-13(5-2,6-3)10-14/h12H,4-11H2,1-3H3
InChIKeyPXQDCDUBIGVUQR-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.30
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)-2-ethylbutyl]-2-ethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine (CID 64999076) is 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine is CCC1CN(CC(CC)(CC)CBr)CCO1.
What is the InChIKey of 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine?
The InChIKey is PXQDCDUBIGVUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-4-12-9-15(7-8-16-12)11-13(5-2,6-3)10-14/h12H,4-11H2,1-3H3.
What are the key properties of 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine?
4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine has a molecular weight of 292.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-ethylbutyl]-2-ethylmorpholine is sourced from PubChem (CID 64999076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).