4-(4-bromobutyl)morpholine

C8H16BrNO — CID 61287934

IUPAC4-(4-bromobutyl)morpholine
SMILESBrCCCCN1CCOCC1
InChIInChI=1S/C8H16BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-8H2
InChIKeyGWQGELINXUPUQN-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.49
Rot. Bonds4

About 4-(4-bromobutyl)morpholine

4-(4-bromobutyl)morpholine (PubChem CID 61287934) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 4-(4-bromobutyl)morpholine.

Molecular Properties

Compound Name4-(4-bromobutyl)morpholine
PubChem CID61287934
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name4-(4-bromobutyl)morpholine
SMILESBrCCCCN1CCOCC1
InChIInChI=1S/C8H16BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-8H2
InChIKeyGWQGELINXUPUQN-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobutyl)morpholine?
The IUPAC name of 4-(4-bromobutyl)morpholine (CID 61287934) is 4-(4-bromobutyl)morpholine.
What is the SMILES notation for 4-(4-bromobutyl)morpholine?
The canonical SMILES for 4-(4-bromobutyl)morpholine is BrCCCCN1CCOCC1.
What is the InChIKey of 4-(4-bromobutyl)morpholine?
The InChIKey is GWQGELINXUPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-8H2.
What are the key properties of 4-(4-bromobutyl)morpholine?
4-(4-bromobutyl)morpholine has a molecular weight of 222.13 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobutyl)morpholine is sourced from PubChem (CID 61287934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).