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'}

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Related Compounds

ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
4-butyl-2-(propoxymethyl)morpholine;ethane
CID 169214166
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
CID 155582545
methyl 4-(2-ethoxyethyl)morpholine-2-carboxylate
CID 78927291
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
[4-(3-ethoxypropyl)-6-methylmorpholin-2-yl]methanamine
CID 112512036

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).