N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine

C22H44N4O3 — CID 19989280

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-19-15-24(11-13-27-19)8-5-23(6-9-25-12-14-28-20(2)16-25)7-10-26-17-21(3)29-22(4)18-26/h19-22H,5-18H2,1-4H3
InChIKeySADSLVYDHVNIDE-UHFFFAOYSA-N
MW412.62 g/mol
LogP0.84
Rot. Bonds9

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (PubChem CID 19989280) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
PubChem CID19989280
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-19-15-24(11-13-27-19)8-5-23(6-9-25-12-14-28-20(2)16-25)7-10-26-17-21(3)29-22(4)18-26/h19-22H,5-18H2,1-4H3
InChIKeySADSLVYDHVNIDE-UHFFFAOYSA-N
XLogP0.84
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediyldiethylene)bis(4-methyl-, diiodide
CID 3066839
Morpholinium, 4,4'-(1,4-piperazinediyldiethylene)bis(4-ethyl-, diiodide
CID 3066858
2-(2,5-dimethylmorpholin-4-yl)-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-N-methylethanamine
CID 75431214
2-(2,6-dimethylmorpholin-4-yl)-N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]ethanamine
CID 21908742
4,4'-[Oxydi(ethane-2,1-diyl)]bis(2,6-dimethylmorpholine)
CID 54463542
3,12-Bis[3-(diethylamino)-2-hydroxypropyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane
CID 3042588
4-Methyl-4-[2-[4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
CID 3066840
4-Ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
CID 3066859
Morpholinium, 4,4'-(1,4-piperazinediyldiethylene)bis(4-ethyl-, dibromide
CID 154584756
Niosh/QE2167000
CID 154733671
4-[2-(2,6-Dimethylmorpholin-4-yl)ethyl]-2,6-dimethylmorpholine
CID 102208338
2-morpholin-4-yl-N,N-bis(2-morpholin-4-ylethyl)ethanamine
CID 10342058

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (CID 19989280) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine is CC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(C)OC(C)C2)CCO1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The InChIKey is SADSLVYDHVNIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-19-15-24(11-13-27-19)8-5-23(6-9-25-12-14-28-20(2)16-25)7-10-26-17-21(3)29-22(4)18-26/h19-22H,5-18H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine has a molecular weight of 412.62 g/mol, XLogP of 0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 19989280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).