ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine

C15H31NO — CID 176951767

IUPACethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
SMILESCC.CC[C@H]1CN(CC2(CC)CC2)C[C@H](C)O1
InChIInChI=1S/C13H25NO.C2H6/c1-4-12-9-14(8-11(3)15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m0./s1
InChIKeyRFNUFSQANJKHHF-FXMYHANSSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds4

About ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine

ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine (PubChem CID 176951767) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Nameethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
PubChem CID176951767
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
SMILESCC.CC[C@H]1CN(CC2(CC)CC2)C[C@H](C)O1
InChIInChI=1S/C13H25NO.C2H6/c1-4-12-9-14(8-11(3)15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m0./s1
InChIKeyRFNUFSQANJKHHF-FXMYHANSSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
CID 177216803
2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120899235
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
CID 104959082
[4-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102932273
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936478
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
ethane;(2R,5R)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-5-methylmorpholine
CID 176919633
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine?
The IUPAC name of ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine (CID 176951767) is ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine.
What is the SMILES notation for ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine?
The canonical SMILES for ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine is CC.CC[C@H]1CN(CC2(CC)CC2)C[C@H](C)O1.
What is the InChIKey of ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine?
The InChIKey is RFNUFSQANJKHHF-FXMYHANSSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-4-12-9-14(8-11(3)15-12)10-13(5-2)6-7-13;1-2/h11-12H,4-10H2,1-3H3;1-2H3/t11-,12-;/m0./s1.
What are the key properties of ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine?
ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 176951767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).