ethane;(2S,6R)-2,4,6-trimethylmorpholine

C9H21NO — CID 142013694

IUPACethane;(2S,6R)-2,4,6-trimethylmorpholine
SMILESCC.C[C@@H]1CN(C)C[C@H](C)O1
InChIInChI=1S/C7H15NO.C2H6/c1-6-4-8(3)5-7(2)9-6;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7+;
InChIKeyWTMIKRLXJYRAPU-UKMDXRBESA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds

About ethane;(2S,6R)-2,4,6-trimethylmorpholine

ethane;(2S,6R)-2,4,6-trimethylmorpholine (PubChem CID 142013694) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(2S,6R)-2,4,6-trimethylmorpholine.

Molecular Properties

Compound Nameethane;(2S,6R)-2,4,6-trimethylmorpholine
PubChem CID142013694
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(2S,6R)-2,4,6-trimethylmorpholine
SMILESCC.C[C@@H]1CN(C)C[C@H](C)O1
InChIInChI=1S/C7H15NO.C2H6/c1-6-4-8(3)5-7(2)9-6;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7+;
InChIKeyWTMIKRLXJYRAPU-UKMDXRBESA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethylpiperidine;methane;1-methylpiperidine;2,4,6-trimethylmorpholine
CID 158607105
4,6-dimethylmorpholine-2-carboxylic acid
CID 84716691
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
(5S)-3,5-dimethyl-1,3-oxazolidine
CID 118932917
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
2-(2,6-dimethylmorpholin-4-yl)propanedinitrile
CID 131018223
2,4-dimethyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322360
1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 108503946
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,6R)-2,4,6-trimethylmorpholine?
The IUPAC name of ethane;(2S,6R)-2,4,6-trimethylmorpholine (CID 142013694) is ethane;(2S,6R)-2,4,6-trimethylmorpholine.
What is the SMILES notation for ethane;(2S,6R)-2,4,6-trimethylmorpholine?
The canonical SMILES for ethane;(2S,6R)-2,4,6-trimethylmorpholine is CC.C[C@@H]1CN(C)C[C@H](C)O1.
What is the InChIKey of ethane;(2S,6R)-2,4,6-trimethylmorpholine?
The InChIKey is WTMIKRLXJYRAPU-UKMDXRBESA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6-4-8(3)5-7(2)9-6;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7+;.
What are the key properties of ethane;(2S,6R)-2,4,6-trimethylmorpholine?
ethane;(2S,6R)-2,4,6-trimethylmorpholine has a molecular weight of 159.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,6R)-2,4,6-trimethylmorpholine is sourced from PubChem (CID 142013694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).