4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine

C13H26BrNO — CID 102745281

IUPAC4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CCCCCBr)CC(C)(C)O1
InChIInChI=1S/C13H26BrNO/c1-12(2)10-15(9-7-5-6-8-14)11-13(3,4)16-12/h5-11H2,1-4H3
InChIKeyMVSCWJIDAWRBJL-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.44
Rot. Bonds5

About 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine

4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745281) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745281
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CCCCCBr)CC(C)(C)O1
InChIInChI=1S/C13H26BrNO/c1-12(2)10-15(9-7-5-6-8-14)11-13(3,4)16-12/h5-11H2,1-4H3
InChIKeyMVSCWJIDAWRBJL-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.44
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-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine (CID 102745281) is 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(CCCCCBr)CC(C)(C)O1.
What is the InChIKey of 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is MVSCWJIDAWRBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-12(2)10-15(9-7-5-6-8-14)11-13(3,4)16-12/h5-11H2,1-4H3.
What are the key properties of 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine?
4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 292.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).