2,6-dimethyl-4-tritriacontylmorpholine

C39H79NO — CID 150123657

IUPAC2,6-dimethyl-4-tritriacontylmorpholine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN1CC(C)OC(C)C1
InChIInChI=1S/C39H79NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-40-36-38(2)41-39(3)37-40/h38-39H,4-37H2,1-3H3
InChIKeyDZTRDCOPOBSKBQ-UHFFFAOYSA-N
MW578.07 g/mol
LogP13.21
Rot. Bonds32

About 2,6-dimethyl-4-tritriacontylmorpholine

2,6-dimethyl-4-tritriacontylmorpholine (PubChem CID 150123657) has the molecular formula C39H79NO and a molecular weight of 578.07 g/mol. Its IUPAC name is 2,6-dimethyl-4-tritriacontylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-tritriacontylmorpholine
PubChem CID150123657
Molecular FormulaC39H79NO
Molecular Weight578.07 g/mol
Exact Mass577.62
IUPAC Name2,6-dimethyl-4-tritriacontylmorpholine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN1CC(C)OC(C)C1
InChIInChI=1S/C39H79NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-40-36-38(2)41-39(3)37-40/h38-39H,4-37H2,1-3H3
InChIKeyDZTRDCOPOBSKBQ-UHFFFAOYSA-N
XLogP13.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.07
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-4-octylmorpholin-2-yl)methanamine
CID 102938785
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
2-(bromomethyl)-4-butyl-6-methylmorpholine
CID 102936811
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705
10-(2,6-dimethylmorpholin-4-yl)dec-2-enylsilane
CID 173363050
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
3,5-dimethyl-1-pentylpiperazine
CID 63862612
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-tritriacontylmorpholine?
The IUPAC name of 2,6-dimethyl-4-tritriacontylmorpholine (CID 150123657) is 2,6-dimethyl-4-tritriacontylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-tritriacontylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-tritriacontylmorpholine is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-tritriacontylmorpholine?
The InChIKey is DZTRDCOPOBSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H79NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-40-36-38(2)41-39(3)37-40/h38-39H,4-37H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-tritriacontylmorpholine?
2,6-dimethyl-4-tritriacontylmorpholine has a molecular weight of 578.07 g/mol, XLogP of 13.21, 32 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-tritriacontylmorpholine is sourced from PubChem (CID 150123657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).