ethane;(2R)-2,3,4-trimethylmorpholine

C9H21NO — CID 143986046

IUPACethane;(2R)-2,3,4-trimethylmorpholine
SMILESCC.CC1[C@@H](C)OCCN1C
InChIInChI=1S/C7H15NO.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6?,7-;/m1./s1
InChIKeyPUTPSVBRGXGXSI-SGMQTFONSA-N
MW159.27 g/mol
LogP1.75
Rot. Bonds

About ethane;(2R)-2,3,4-trimethylmorpholine

ethane;(2R)-2,3,4-trimethylmorpholine (PubChem CID 143986046) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(2R)-2,3,4-trimethylmorpholine.

Molecular Properties

Compound Nameethane;(2R)-2,3,4-trimethylmorpholine
PubChem CID143986046
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(2R)-2,3,4-trimethylmorpholine
SMILESCC.CC1[C@@H](C)OCCN1C
InChIInChI=1S/C7H15NO.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6?,7-;/m1./s1
InChIKeyPUTPSVBRGXGXSI-SGMQTFONSA-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

(2R,3R)-3-ethyl-2,4-dimethylmorpholine
CID 118134338
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860
(2R,3R)-2,3-dimethyl-4-propan-2-ylmorpholine
CID 59817853
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382
1,2,3,4-tetramethylpiperazine
CID 66583347
2,3-dimethylmorpholine-4-sulfinic acid
CID 89262144
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one
CID 169224435
2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one
CID 130825771
(2R,3R)-4-[6-[(2S,3S)-2,3-dimethylmorpholin-4-yl]pyrimidin-4-yl]-2,3-dimethylmorpholine
CID 99855860
ethane;5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;sulfane
CID 153330745
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2,3,4-trimethylmorpholine?
The IUPAC name of ethane;(2R)-2,3,4-trimethylmorpholine (CID 143986046) is ethane;(2R)-2,3,4-trimethylmorpholine.
What is the SMILES notation for ethane;(2R)-2,3,4-trimethylmorpholine?
The canonical SMILES for ethane;(2R)-2,3,4-trimethylmorpholine is CC.CC1[C@@H](C)OCCN1C.
What is the InChIKey of ethane;(2R)-2,3,4-trimethylmorpholine?
The InChIKey is PUTPSVBRGXGXSI-SGMQTFONSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-6-7(2)9-5-4-8(6)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6?,7-;/m1./s1.
What are the key properties of ethane;(2R)-2,3,4-trimethylmorpholine?
ethane;(2R)-2,3,4-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;(2R)-2,3,4-trimethylmorpholine is sourced from PubChem (CID 143986046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).