ethane;(3S)-3-methylmorpholine

C9H23NO — CID 145275253

IUPACethane;(3S)-3-methylmorpholine
SMILESCC.CC.C[C@H]1COCCN1
InChIInChI=1S/C5H11NO.2C2H6/c1-5-4-7-3-2-6-5;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1
InChIKeyGUGDVJLSKZARAR-XRIGFGBMSA-N
MW161.29 g/mol
LogP2.05
Rot. Bonds

About ethane;(3S)-3-methylmorpholine

ethane;(3S)-3-methylmorpholine (PubChem CID 145275253) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;(3S)-3-methylmorpholine.

Molecular Properties

Compound Nameethane;(3S)-3-methylmorpholine
PubChem CID145275253
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;(3S)-3-methylmorpholine
SMILESCC.CC.C[C@H]1COCCN1
InChIInChI=1S/C5H11NO.2C2H6/c1-5-4-7-3-2-6-5;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1
InChIKeyGUGDVJLSKZARAR-XRIGFGBMSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylmorpholine;hydrobromide
CID 173415172
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
(3R)-3-methyl-1,4-oxazepane
CID 55298772
3,3-dideuterio-5-methylmorpholine
CID 175104170
(6S)-5,6-dimethyl-1,4-oxazepane
CID 166079644
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
CID 155589776
ethane;morpholine-3-carboxylic acid
CID 144576497
ethane;ethene;methane;(3R)-morpholin-3-ol;vanadium
CID 143845280
3-(bromomethyl)morpholine
CID 70577689
(3S)-3-iodomorpholine
CID 89004392

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methylmorpholine?
The IUPAC name of ethane;(3S)-3-methylmorpholine (CID 145275253) is ethane;(3S)-3-methylmorpholine.
What is the SMILES notation for ethane;(3S)-3-methylmorpholine?
The canonical SMILES for ethane;(3S)-3-methylmorpholine is CC.CC.C[C@H]1COCCN1.
What is the InChIKey of ethane;(3S)-3-methylmorpholine?
The InChIKey is GUGDVJLSKZARAR-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H11NO.2C2H6/c1-5-4-7-3-2-6-5;2*1-2/h5-6H,2-4H2,1H3;2*1-2H3/t5-;;/m0../s1.
What are the key properties of ethane;(3S)-3-methylmorpholine?
ethane;(3S)-3-methylmorpholine has a molecular weight of 161.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methylmorpholine is sourced from PubChem (CID 145275253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).