2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane

C32H62N2O6 — CID 158789662

IUPAC2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane
SMILESCC1CCCC(OCC(O)CN2CC(C)OC(C)C2)C1.CC1CCCC(OCC2CO2)C1.CC1CNCC(C)O1
InChIInChI=1S/C16H31NO3.C10H18O2.C6H13NO/c1-12-5-4-6-16(7-12)19-11-15(18)10-17-8-13(2)20-14(3)9-17;1-8-3-2-4-9(5-8)11-6-10-7-12-10;1-5-3-7-4-6(2)8-5/h12-16,18H,4-11H2,1-3H3;8-10H,2-7H2,1H3;5-7H,3-4H2,1-2H3
InChIKeyISCPPEZKNPCYHB-UHFFFAOYSA-N
MW570.86 g/mol
LogP4.42
Rot. Bonds8

About 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane

2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane (PubChem CID 158789662) has the molecular formula C32H62N2O6 and a molecular weight of 570.86 g/mol. Its IUPAC name is 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane
PubChem CID158789662
Molecular FormulaC32H62N2O6
Molecular Weight570.86 g/mol
Exact Mass570.46
IUPAC Name2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane
SMILESCC1CCCC(OCC(O)CN2CC(C)OC(C)C2)C1.CC1CCCC(OCC2CO2)C1.CC1CNCC(C)O1
InChIInChI=1S/C16H31NO3.C10H18O2.C6H13NO/c1-12-5-4-6-16(7-12)19-11-15(18)10-17-8-13(2)20-14(3)9-17;1-8-3-2-4-9(5-8)11-6-10-7-12-10;1-5-3-7-4-6(2)8-5/h12-16,18H,4-11H2,1-3H3;8-10H,2-7H2,1H3;5-7H,3-4H2,1-2H3
InChIKeyISCPPEZKNPCYHB-UHFFFAOYSA-N
XLogP4.42
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane (CID 158789662) is 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane is CC1CCCC(OCC(O)CN2CC(C)OC(C)C2)C1.CC1CCCC(OCC2CO2)C1.CC1CNCC(C)O1.
What is the InChIKey of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane?
The InChIKey is ISCPPEZKNPCYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3.C10H18O2.C6H13NO/c1-12-5-4-6-16(7-12)19-11-15(18)10-17-8-13(2)20-14(3)9-17;1-8-3-2-4-9(5-8)11-6-10-7-12-10;1-5-3-7-4-6(2)8-5/h12-16,18H,4-11H2,1-3H3;8-10H,2-7H2,1H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane?
2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane has a molecular weight of 570.86 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-3-(3-methylcyclohexyl)oxypropan-2-ol;2-[(3-methylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 158789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).