2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane

C13H25NO — CID 143325399

IUPAC2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
SMILESC=C/C=C(\C)N1CC(C)OC(C)C1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-5-6-9(2)12-7-10(3)13-11(4)8-12;1-2/h5-6,10-11H,1,7-8H2,2-4H3;1-2H3/b9-6+;
InChIKeyQVXHLYOWDKMYQO-MLBSPLJJSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds2

About 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane

2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane (PubChem CID 143325399) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane.

Molecular Properties

Compound Name2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
PubChem CID143325399
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane
SMILESC=C/C=C(\C)N1CC(C)OC(C)C1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-5-6-9(2)12-7-10(3)13-11(4)8-12;1-2/h5-6,10-11H,1,7-8H2,2-4H3;1-2H3/b9-6+;
InChIKeyQVXHLYOWDKMYQO-MLBSPLJJSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbut-2-en-1-one
CID 52520989
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine;ethane
CID 143325415
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
1-(2,7-dimethyl-1,4-oxazepan-4-yl)ethanone
CID 146290513
N-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 23039338
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane?
The IUPAC name of 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane (CID 143325399) is 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane.
What is the SMILES notation for 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane?
The canonical SMILES for 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane is C=C/C=C(\C)N1CC(C)OC(C)C1.CC.
What is the InChIKey of 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane?
The InChIKey is QVXHLYOWDKMYQO-MLBSPLJJSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-5-6-9(2)12-7-10(3)13-11(4)8-12;1-2/h5-6,10-11H,1,7-8H2,2-4H3;1-2H3/b9-6+;.
What are the key properties of 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane?
2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane has a molecular weight of 211.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(2E)-penta-2,4-dien-2-yl]morpholine;ethane is sourced from PubChem (CID 143325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).