3,4-dimethylmorpholine;ethane;2-methylmorpholine

C17H42N2O2 — CID 172583303

IUPAC3,4-dimethylmorpholine;ethane;2-methylmorpholine
SMILESCC.CC.CC.CC1CNCCO1.CC1COCCN1C
InChIInChI=1S/C6H13NO.C5H11NO.3C2H6/c1-6-5-8-4-3-7(6)2;1-5-4-6-2-3-7-5;3*1-2/h6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;3*1-2H3
InChIKeyDOEAZWPAZNVIQQ-UHFFFAOYSA-N
MW306.54 g/mol
LogP3.41
Rot. Bonds

About 3,4-dimethylmorpholine;ethane;2-methylmorpholine

3,4-dimethylmorpholine;ethane;2-methylmorpholine (PubChem CID 172583303) has the molecular formula C17H42N2O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3,4-dimethylmorpholine;ethane;2-methylmorpholine.

Molecular Properties

Compound Name3,4-dimethylmorpholine;ethane;2-methylmorpholine
PubChem CID172583303
Molecular FormulaC17H42N2O2
Molecular Weight306.54 g/mol
Exact Mass306.32
IUPAC Name3,4-dimethylmorpholine;ethane;2-methylmorpholine
SMILESCC.CC.CC.CC1CNCCO1.CC1COCCN1C
InChIInChI=1S/C6H13NO.C5H11NO.3C2H6/c1-6-5-8-4-3-7(6)2;1-5-4-6-2-3-7-5;3*1-2/h6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;3*1-2H3
InChIKeyDOEAZWPAZNVIQQ-UHFFFAOYSA-N
XLogP3.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethylmorpholine;ethane;4-methylmorpholine
CID 145315669
methanol;2-methylmorpholine
CID 144850934
cyclobutane;2-methylmorpholine
CID 67675203
(3R)-3,4-dimethyl-1,4-oxazepane;ethane
CID 178147511
(2S)-2-methylmorpholine;molecular hydrogen;propane
CID 144551111
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
(3-methylmorpholin-4-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119730616
(5aS,9aS)-1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-e][1,4]oxazepine
CID 129493577
1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 130886927
4,5-dimethyl-1,4-oxazepane;ethane
CID 163257636
2-methyl-1,4-oxazepane;hydrochloride
CID 66718521
(3R)-3-methyl-4-piperidin-3-ylmorpholine
CID 130978960

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylmorpholine;ethane;2-methylmorpholine?
The IUPAC name of 3,4-dimethylmorpholine;ethane;2-methylmorpholine (CID 172583303) is 3,4-dimethylmorpholine;ethane;2-methylmorpholine.
What is the SMILES notation for 3,4-dimethylmorpholine;ethane;2-methylmorpholine?
The canonical SMILES for 3,4-dimethylmorpholine;ethane;2-methylmorpholine is CC.CC.CC.CC1CNCCO1.CC1COCCN1C.
What is the InChIKey of 3,4-dimethylmorpholine;ethane;2-methylmorpholine?
The InChIKey is DOEAZWPAZNVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H11NO.3C2H6/c1-6-5-8-4-3-7(6)2;1-5-4-6-2-3-7-5;3*1-2/h6H,3-5H2,1-2H3;5-6H,2-4H2,1H3;3*1-2H3.
What are the key properties of 3,4-dimethylmorpholine;ethane;2-methylmorpholine?
3,4-dimethylmorpholine;ethane;2-methylmorpholine has a molecular weight of 306.54 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylmorpholine;ethane;2-methylmorpholine is sourced from PubChem (CID 172583303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).