2-dodecyl-2-prop-2-enylmorpholine;hydrobromide

C19H38BrNO — CID 173454492

IUPAC2-dodecyl-2-prop-2-enylmorpholine;hydrobromide
SMILESBr.C=CCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C19H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19;/h4,20H,2-3,5-18H2,1H3;1H
InChIKeyMCWSTICKURMGFI-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.81
Rot. Bonds13

About 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide

2-dodecyl-2-prop-2-enylmorpholine;hydrobromide (PubChem CID 173454492) has the molecular formula C19H38BrNO and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide.

Molecular Properties

Compound Name2-dodecyl-2-prop-2-enylmorpholine;hydrobromide
PubChem CID173454492
Molecular FormulaC19H38BrNO
Molecular Weight376.42 g/mol
Exact Mass375.21
IUPAC Name2-dodecyl-2-prop-2-enylmorpholine;hydrobromide
SMILESBr.C=CCC1(CCCCCCCCCCCC)CNCCO1
InChIInChI=1S/C19H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19;/h4,20H,2-3,5-18H2,1H3;1H
InChIKeyMCWSTICKURMGFI-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide?
The IUPAC name of 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide (CID 173454492) is 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide.
What is the SMILES notation for 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide?
The canonical SMILES for 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide is Br.C=CCC1(CCCCCCCCCCCC)CNCCO1.
What is the InChIKey of 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide?
The InChIKey is MCWSTICKURMGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO.BrH/c1-3-5-6-7-8-9-10-11-12-13-15-19(14-4-2)18-20-16-17-21-19;/h4,20H,2-3,5-18H2,1H3;1H.
What are the key properties of 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide?
2-dodecyl-2-prop-2-enylmorpholine;hydrobromide has a molecular weight of 376.42 g/mol, XLogP of 5.81, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-prop-2-enylmorpholine;hydrobromide is sourced from PubChem (CID 173454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).