ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine

C14H29NO2 — CID 177009766

IUPACethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
SMILESCC.COCC1(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C12H23NO2.C2H6/c1-10-6-13(7-11(2)15-10)8-12(4-5-12)9-14-3;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;
InChIKeyUEEFXAFNSJRPOR-NJJJQDLFSA-N
MW243.39 g/mol
LogP2.55
Rot. Bonds4

About ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine

ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine (PubChem CID 177009766) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Nameethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
PubChem CID177009766
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
SMILESCC.COCC1(CN2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C12H23NO2.C2H6/c1-10-6-13(7-11(2)15-10)8-12(4-5-12)9-14-3;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;
InChIKeyUEEFXAFNSJRPOR-NJJJQDLFSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-4-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 114042172
[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
CID 177216803
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
3-(2,2-dimethylpropyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
CID 170276303
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
[2,2-difluoro-1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanol;ethane;(2R,6S)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methyl-6-propylmorpholine
CID 177010180
N,N-diethyl-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidin-3-amine
CID 178038248
ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
CID 176951767
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
CID 104959082
(2R,6S)-2,6-dimethyl-4-[(4-propylpiperidin-4-yl)methyl]morpholine
CID 104959142

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine (CID 177009766) is ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine is CC.COCC1(CN2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is UEEFXAFNSJRPOR-NJJJQDLFSA-N. The full InChI is InChI=1S/C12H23NO2.C2H6/c1-10-6-13(7-11(2)15-10)8-12(4-5-12)9-14-3;1-2/h10-11H,4-9H2,1-3H3;1-2H3/t10-,11+;.
What are the key properties of ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine?
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 243.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 177009766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).