2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine

C26H52N2O2 — CID 142640587

IUPAC2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
SMILESCC1(CCCCCCCCCCCCCCCCC2(C)CNCCO2)CNCCO1
InChIInChI=1S/C26H52N2O2/c1-25(23-27-19-21-29-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(2)24-28-20-22-30-26/h27-28H,3-24H2,1-2H3
InChIKeyLCWZQNPANZEPRC-UHFFFAOYSA-N
MW424.71 g/mol
LogP5.99
Rot. Bonds17

About 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine

2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine (PubChem CID 142640587) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine.

Molecular Properties

Compound Name2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
PubChem CID142640587
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC Name2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
SMILESCC1(CCCCCCCCCCCCCCCCC2(C)CNCCO2)CNCCO1
InChIInChI=1S/C26H52N2O2/c1-25(23-27-19-21-29-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(2)24-28-20-22-30-26/h27-28H,3-24H2,1-2H3
InChIKeyLCWZQNPANZEPRC-UHFFFAOYSA-N
XLogP5.99
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine?
The IUPAC name of 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine (CID 142640587) is 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine.
What is the SMILES notation for 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine?
The canonical SMILES for 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine is CC1(CCCCCCCCCCCCCCCCC2(C)CNCCO2)CNCCO1.
What is the InChIKey of 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine?
The InChIKey is LCWZQNPANZEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-25(23-27-19-21-29-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26(2)24-28-20-22-30-26/h27-28H,3-24H2,1-2H3.
What are the key properties of 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine?
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine has a molecular weight of 424.71 g/mol, XLogP of 5.99, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine is sourced from PubChem (CID 142640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).