ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine

C22H48N2O4 — CID 154661250

IUPACethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine
SMILESCC.CCCOCCN1CCO[C@@H](C)C1.CCOCCN1CC(C)OC(C)C1
InChIInChI=1S/2C10H21NO2.C2H6/c1-4-12-6-5-11-7-9(2)13-10(3)8-11;1-3-6-12-7-4-11-5-8-13-10(2)9-11;1-2/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1
InChIKeyRGQWPXYLNUAAEV-RBPNCNDUSA-N
MW404.64 g/mol
LogP3.29
Rot. Bonds9

About ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine

ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine (PubChem CID 154661250) has the molecular formula C22H48N2O4 and a molecular weight of 404.64 g/mol. Its IUPAC name is ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine.

Molecular Properties

Compound Nameethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine
PubChem CID154661250
Molecular FormulaC22H48N2O4
Molecular Weight404.64 g/mol
Exact Mass404.36
IUPAC Nameethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine
SMILESCC.CCCOCCN1CCO[C@@H](C)C1.CCOCCN1CC(C)OC(C)C1
InChIInChI=1S/2C10H21NO2.C2H6/c1-4-12-6-5-11-7-9(2)13-10(3)8-11;1-3-6-12-7-4-11-5-8-13-10(2)9-11;1-2/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1
InChIKeyRGQWPXYLNUAAEV-RBPNCNDUSA-N
XLogP3.29
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine 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 ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine?
The IUPAC name of ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine (CID 154661250) is ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine.
What is the SMILES notation for ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine?
The canonical SMILES for ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine is CC.CCCOCCN1CCO[C@@H](C)C1.CCOCCN1CC(C)OC(C)C1.
What is the InChIKey of ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine?
The InChIKey is RGQWPXYLNUAAEV-RBPNCNDUSA-N. The full InChI is InChI=1S/2C10H21NO2.C2H6/c1-4-12-6-5-11-7-9(2)13-10(3)8-11;1-3-6-12-7-4-11-5-8-13-10(2)9-11;1-2/h9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1.
What are the key properties of ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine?
ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine has a molecular weight of 404.64 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine is sourced from PubChem (CID 154661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).