4-(3-bromopropyl)-3-ethylmorpholine

C9H18BrNO — CID 61288372

IUPAC4-(3-bromopropyl)-3-ethylmorpholine
SMILESCCC1COCCN1CCCBr
InChIInChI=1S/C9H18BrNO/c1-2-9-8-12-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3
InChIKeyXCGNQGPPJCQIAE-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds4

About 4-(3-bromopropyl)-3-ethylmorpholine

4-(3-bromopropyl)-3-ethylmorpholine (PubChem CID 61288372) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-(3-bromopropyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(3-bromopropyl)-3-ethylmorpholine
PubChem CID61288372
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name4-(3-bromopropyl)-3-ethylmorpholine
SMILESCCC1COCCN1CCCBr
InChIInChI=1S/C9H18BrNO/c1-2-9-8-12-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3
InChIKeyXCGNQGPPJCQIAE-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
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-(3-bromopropyl)-3-ethylmorpholine?
The IUPAC name of 4-(3-bromopropyl)-3-ethylmorpholine (CID 61288372) is 4-(3-bromopropyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(3-bromopropyl)-3-ethylmorpholine?
The canonical SMILES for 4-(3-bromopropyl)-3-ethylmorpholine is CCC1COCCN1CCCBr.
What is the InChIKey of 4-(3-bromopropyl)-3-ethylmorpholine?
The InChIKey is XCGNQGPPJCQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-2-9-8-12-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3.
What are the key properties of 4-(3-bromopropyl)-3-ethylmorpholine?
4-(3-bromopropyl)-3-ethylmorpholine has a molecular weight of 236.15 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-3-ethylmorpholine is sourced from PubChem (CID 61288372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).