1-bromotridecane;morpholine

C17H36BrNO — CID 174895242

IUPAC1-bromotridecane;morpholine
SMILESC1COCCN1.CCCCCCCCCCCCCBr
InChIInChI=1S/C13H27Br.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-6-4-2-5-1/h2-13H2,1H3;5H,1-4H2
InChIKeyUMEQLQPYSXQULV-UHFFFAOYSA-N
MW350.39 g/mol
LogP5.30
Rot. Bonds11

About 1-bromotridecane;morpholine

1-bromotridecane;morpholine (PubChem CID 174895242) has the molecular formula C17H36BrNO and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-bromotridecane;morpholine.

Molecular Properties

Compound Name1-bromotridecane;morpholine
PubChem CID174895242
Molecular FormulaC17H36BrNO
Molecular Weight350.39 g/mol
Exact Mass349.20
IUPAC Name1-bromotridecane;morpholine
SMILESC1COCCN1.CCCCCCCCCCCCCBr
InChIInChI=1S/C13H27Br.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-6-4-2-5-1/h2-13H2,1H3;5H,1-4H2
InChIKeyUMEQLQPYSXQULV-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
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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Related Compounds

decan-1-amine;morpholine
CID 174736871
2-bromotridecane;morpholine
CID 70520110
morpholine;tetrabutylazanium
CID 174955494
1-bromononadecane
CID 20496
ethane;morpholine
CID 91516807
1-bromooctane
CID 159764808
1-bromooctadecane
CID 8218
1,4-dioxane;tetradecane
CID 159034856
1-bromohexadecane;methane
CID 174415075
CID 87713044
CID 87713044
morpholine;tetradecyl hydrogen sulfate
CID 173012488
magnesium;1-bromopentadecane;hydride
CID 173122979

Frequently Asked Questions

What is the IUPAC name of 1-bromotridecane;morpholine?
The IUPAC name of 1-bromotridecane;morpholine (CID 174895242) is 1-bromotridecane;morpholine.
What is the SMILES notation for 1-bromotridecane;morpholine?
The canonical SMILES for 1-bromotridecane;morpholine is C1COCCN1.CCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromotridecane;morpholine?
The InChIKey is UMEQLQPYSXQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-6-4-2-5-1/h2-13H2,1H3;5H,1-4H2.
What are the key properties of 1-bromotridecane;morpholine?
1-bromotridecane;morpholine has a molecular weight of 350.39 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotridecane;morpholine is sourced from PubChem (CID 174895242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).