2-hexadecylmorpholine;hydrobromide

C20H42BrNO — CID 174842760

IUPAC2-hexadecylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC1CNCCO1
InChIInChI=1S/C20H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-20;/h20-21H,2-19H2,1H3;1H
InChIKeyMVXLPHUEQHAFFO-UHFFFAOYSA-N
MW392.47 g/mol
LogP6.42
Rot. Bonds15

About 2-hexadecylmorpholine;hydrobromide

2-hexadecylmorpholine;hydrobromide (PubChem CID 174842760) has the molecular formula C20H42BrNO and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-hexadecylmorpholine;hydrobromide.

Molecular Properties

Compound Name2-hexadecylmorpholine;hydrobromide
PubChem CID174842760
Molecular FormulaC20H42BrNO
Molecular Weight392.47 g/mol
Exact Mass391.24
IUPAC Name2-hexadecylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCC1CNCCO1
InChIInChI=1S/C20H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-20;/h20-21H,2-19H2,1H3;1H
InChIKeyMVXLPHUEQHAFFO-UHFFFAOYSA-N
XLogP6.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexadecylmorpholine;hydrobromide?
The IUPAC name of 2-hexadecylmorpholine;hydrobromide (CID 174842760) is 2-hexadecylmorpholine;hydrobromide.
What is the SMILES notation for 2-hexadecylmorpholine;hydrobromide?
The canonical SMILES for 2-hexadecylmorpholine;hydrobromide is Br.CCCCCCCCCCCCCCCCC1CNCCO1.
What is the InChIKey of 2-hexadecylmorpholine;hydrobromide?
The InChIKey is MVXLPHUEQHAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19-21-17-18-22-20;/h20-21H,2-19H2,1H3;1H.
What are the key properties of 2-hexadecylmorpholine;hydrobromide?
2-hexadecylmorpholine;hydrobromide has a molecular weight of 392.47 g/mol, XLogP of 6.42, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecylmorpholine;hydrobromide is sourced from PubChem (CID 174842760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).