(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane

C15H33NO — CID 144929600

IUPAC(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane
SMILESCC.CC1CCCCC1.C[C@@H]1CNC[C@H](C)O1
InChIInChI=1S/C7H14.C6H13NO.C2H6/c1-7-5-3-2-4-6-7;1-5-3-7-4-6(2)8-5;1-2/h7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;1-2H3/t;5-,6+;
InChIKeyZVWBJJPVOWWUNI-GCTAOFAESA-N
MW243.43 g/mol
LogP4.00
Rot. Bonds

About (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane

(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane (PubChem CID 144929600) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane
PubChem CID144929600
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane
SMILESCC.CC1CCCCC1.C[C@@H]1CNC[C@H](C)O1
InChIInChI=1S/C7H14.C6H13NO.C2H6/c1-7-5-3-2-4-6-7;1-5-3-7-4-6(2)8-5;1-2/h7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;1-2H3/t;5-,6+;
InChIKeyZVWBJJPVOWWUNI-GCTAOFAESA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methylcyclohexane;methylcyclopentane
CID 159395989
2,6-dimethylmorpholine;propane
CID 143985013
ethane;methylcyclohexane;dihydrate
CID 144526565
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
(5aR,9aS)-2-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 11819443
ethane;methylcyclooctane;molecular hydrogen
CID 142068181
gallane;methylcyclohexane
CID 174461507

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane?
The IUPAC name of (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane (CID 144929600) is (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane.
What is the SMILES notation for (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane?
The canonical SMILES for (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane is CC.CC1CCCCC1.C[C@@H]1CNC[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane?
The InChIKey is ZVWBJJPVOWWUNI-GCTAOFAESA-N. The full InChI is InChI=1S/C7H14.C6H13NO.C2H6/c1-7-5-3-2-4-6-7;1-5-3-7-4-6(2)8-5;1-2/h7H,2-6H2,1H3;5-7H,3-4H2,1-2H3;1-2H3/t;5-,6+;.
What are the key properties of (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane?
(2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane has a molecular weight of 243.43 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylmorpholine;ethane;methylcyclohexane is sourced from PubChem (CID 144929600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).