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

C23H46N4O3 — CID 19989275

IUPACN,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C23H46N4O3/c1-19-14-25(12-13-28-19)9-6-24(7-10-26-15-20(2)29-21(3)16-26)8-11-27-17-22(4)30-23(5)18-27/h19-23H,6-18H2,1-5H3
InChIKeyIQDNTBGEXQTTME-UHFFFAOYSA-N
MW426.65 g/mol
LogP1.23
Rot. Bonds9

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

N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 19989275) has the molecular formula C23H46N4O3 and a molecular weight of 426.65 g/mol. Its IUPAC name is N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID19989275
Molecular FormulaC23H46N4O3
Molecular Weight426.65 g/mol
Exact Mass426.36
IUPAC NameN,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C23H46N4O3/c1-19-14-25(12-13-28-19)9-6-24(7-10-26-15-20(2)29-21(3)16-26)8-11-27-17-22(4)30-23(5)18-27/h19-23H,6-18H2,1-5H3
InChIKeyIQDNTBGEXQTTME-UHFFFAOYSA-N
XLogP1.23
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 51.23
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,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine (CID 19989275) is N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine is CC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1.
What is the InChIKey of N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is IQDNTBGEXQTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3/c1-19-14-25(12-13-28-19)9-6-24(7-10-26-15-20(2)29-21(3)16-26)8-11-27-17-22(4)30-23(5)18-27/h19-23H,6-18H2,1-5H3.
What are the key properties of N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 426.65 g/mol, XLogP of 1.23, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 19989275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).