3,4-dimethylmorpholine;ethane;4-methylmorpholine

C15H36N2O2 — CID 145315669

IUPAC3,4-dimethylmorpholine;ethane;4-methylmorpholine
SMILESCC.CC.CC1COCCN1C.CN1CCOCC1
InChIInChI=1S/C6H13NO.C5H11NO.2C2H6/c1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6;2*1-2/h6H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyKEIJHGPMOCVGGE-UHFFFAOYSA-N
MW276.46 g/mol
LogP2.34
Rot. Bonds

About 3,4-dimethylmorpholine;ethane;4-methylmorpholine

3,4-dimethylmorpholine;ethane;4-methylmorpholine (PubChem CID 145315669) has the molecular formula C15H36N2O2 and a molecular weight of 276.46 g/mol. Its IUPAC name is 3,4-dimethylmorpholine;ethane;4-methylmorpholine.

Molecular Properties

Compound Name3,4-dimethylmorpholine;ethane;4-methylmorpholine
PubChem CID145315669
Molecular FormulaC15H36N2O2
Molecular Weight276.46 g/mol
Exact Mass276.28
IUPAC Name3,4-dimethylmorpholine;ethane;4-methylmorpholine
SMILESCC.CC.CC1COCCN1C.CN1CCOCC1
InChIInChI=1S/C6H13NO.C5H11NO.2C2H6/c1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6;2*1-2/h6H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyKEIJHGPMOCVGGE-UHFFFAOYSA-N
XLogP2.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3,4-dimethyl-1,4-oxazepane;ethane
CID 178147511
ethane;4-methylmorpholine
CID 54432133
4,5-dimethyl-1,4-oxazepane;ethane
CID 163257636
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
3,4-dimethylmorpholine;ethane;2-methylmorpholine
CID 172583303
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
lithium;4-methylmorpholine;chloride
CID 172748649
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
CID 168940768
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
ethane;4-methyl-1,4-oxazepan-6-amine
CID 178036626
butane;bis(4-methylmorpholine)
CID 159010392
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylmorpholine;ethane;4-methylmorpholine?
The IUPAC name of 3,4-dimethylmorpholine;ethane;4-methylmorpholine (CID 145315669) is 3,4-dimethylmorpholine;ethane;4-methylmorpholine.
What is the SMILES notation for 3,4-dimethylmorpholine;ethane;4-methylmorpholine?
The canonical SMILES for 3,4-dimethylmorpholine;ethane;4-methylmorpholine is CC.CC.CC1COCCN1C.CN1CCOCC1.
What is the InChIKey of 3,4-dimethylmorpholine;ethane;4-methylmorpholine?
The InChIKey is KEIJHGPMOCVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H11NO.2C2H6/c1-6-5-8-4-3-7(6)2;1-6-2-4-7-5-3-6;2*1-2/h6H,3-5H2,1-2H3;2-5H2,1H3;2*1-2H3.
What are the key properties of 3,4-dimethylmorpholine;ethane;4-methylmorpholine?
3,4-dimethylmorpholine;ethane;4-methylmorpholine has a molecular weight of 276.46 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylmorpholine;ethane;4-methylmorpholine is sourced from PubChem (CID 145315669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).