ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine

C17H38N2O3 — CID 176927601

IUPACethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine
SMILESCC.CN1CCC(OCCN2CCOCC2)C1.COC(C)C
InChIInChI=1S/C11H22N2O2.C4H10O.C2H6/c1-12-3-2-11(10-12)15-9-6-13-4-7-14-8-5-13;1-4(2)5-3;1-2/h11H,2-10H2,1H3;4H,1-3H3;1-2H3
InChIKeyACEXOXHUFSXHJH-UHFFFAOYSA-N
MW318.50 g/mol
LogP2.11
Rot. Bonds5

About ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine

ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine (PubChem CID 176927601) has the molecular formula C17H38N2O3 and a molecular weight of 318.50 g/mol. Its IUPAC name is ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Nameethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine
PubChem CID176927601
Molecular FormulaC17H38N2O3
Molecular Weight318.50 g/mol
Exact Mass318.29
IUPAC Nameethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine
SMILESCC.CN1CCC(OCCN2CCOCC2)C1.COC(C)C
InChIInChI=1S/C11H22N2O2.C4H10O.C2H6/c1-12-3-2-11(10-12)15-9-6-13-4-7-14-8-5-13;1-4(2)5-3;1-2/h11H,2-10H2,1H3;4H,1-3H3;1-2H3
InChIKeyACEXOXHUFSXHJH-UHFFFAOYSA-N
XLogP2.11
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 71234494
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207
1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine
CID 156884985
methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 158580646
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
CID 178107990
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
4-[(6R)-6-(methoxymethyl)-9-methyldecyl]morpholine
CID 163946304
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
The IUPAC name of ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine (CID 176927601) is ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine.
What is the SMILES notation for ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
The canonical SMILES for ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine is CC.CN1CCC(OCCN2CCOCC2)C1.COC(C)C.
What is the InChIKey of ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
The InChIKey is ACEXOXHUFSXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C4H10O.C2H6/c1-12-3-2-11(10-12)15-9-6-13-4-7-14-8-5-13;1-4(2)5-3;1-2/h11H,2-10H2,1H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine?
ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine has a molecular weight of 318.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxypropane;4-[2-(1-methylpyrrolidin-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 176927601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).