2,2-dihexylmorpholine

C16H33NO — CID 67228855

IUPAC2,2-dihexylmorpholine
SMILESCCCCCCC1(CCCCCC)CNCCO1
InChIInChI=1S/C16H33NO/c1-3-5-7-9-11-16(12-10-8-6-4-2)15-17-13-14-18-16/h17H,3-15H2,1-2H3
InChIKeyVUSIPPMULFXXLS-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.29
Rot. Bonds10

About 2,2-dihexylmorpholine

2,2-dihexylmorpholine (PubChem CID 67228855) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dihexylmorpholine.

Molecular Properties

Compound Name2,2-dihexylmorpholine
PubChem CID67228855
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2,2-dihexylmorpholine
SMILESCCCCCCC1(CCCCCC)CNCCO1
InChIInChI=1S/C16H33NO/c1-3-5-7-9-11-16(12-10-8-6-4-2)15-17-13-14-18-16/h17H,3-15H2,1-2H3
InChIKeyVUSIPPMULFXXLS-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.29
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 2,2-dihexylmorpholine?
The IUPAC name of 2,2-dihexylmorpholine (CID 67228855) is 2,2-dihexylmorpholine.
What is the SMILES notation for 2,2-dihexylmorpholine?
The canonical SMILES for 2,2-dihexylmorpholine is CCCCCCC1(CCCCCC)CNCCO1.
What is the InChIKey of 2,2-dihexylmorpholine?
The InChIKey is VUSIPPMULFXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-7-9-11-16(12-10-8-6-4-2)15-17-13-14-18-16/h17H,3-15H2,1-2H3.
What are the key properties of 2,2-dihexylmorpholine?
2,2-dihexylmorpholine has a molecular weight of 255.45 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihexylmorpholine is sourced from PubChem (CID 67228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).