ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine

C13H29NO2 — CID 154661350

IUPACethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
SMILESC=C.CC.COCCCN1CCO[C@@H](C)C1
InChIInChI=1S/C9H19NO2.C2H6.C2H4/c1-9-8-10(5-7-12-9)4-3-6-11-2;2*1-2/h9H,3-8H2,1-2H3;1-2H3;1-2H2/t9-;;/m0../s1
InChIKeyLUOKKOASBNEHIT-WWPIYYJJSA-N
MW231.38 g/mol
LogP2.57
Rot. Bonds4

About ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine

ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine (PubChem CID 154661350) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine.

Molecular Properties

Compound Nameethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
PubChem CID154661350
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
SMILESC=C.CC.COCCCN1CCO[C@@H](C)C1
InChIInChI=1S/C9H19NO2.C2H6.C2H4/c1-9-8-10(5-7-12-9)4-3-6-11-2;2*1-2/h9H,3-8H2,1-2H3;1-2H3;1-2H2/t9-;;/m0../s1
InChIKeyLUOKKOASBNEHIT-WWPIYYJJSA-N
XLogP2.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
CID 155023154
4-(3-methoxypropyl)-N-methylmorpholin-2-amine;hydrochloride
CID 175032974
4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
(2S)-4-[(2S)-3-methoxy-2-methylpropyl]-2-methylmorpholine
CID 121401096
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine
CID 154661250
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
CID 124874777

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine?
The IUPAC name of ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine (CID 154661350) is ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine.
What is the SMILES notation for ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine?
The canonical SMILES for ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine is C=C.CC.COCCCN1CCO[C@@H](C)C1.
What is the InChIKey of ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine?
The InChIKey is LUOKKOASBNEHIT-WWPIYYJJSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6.C2H4/c1-9-8-10(5-7-12-9)4-3-6-11-2;2*1-2/h9H,3-8H2,1-2H3;1-2H3;1-2H2/t9-;;/m0../s1.
What are the key properties of ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine?
ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine has a molecular weight of 231.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine is sourced from PubChem (CID 154661350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).