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

C24H48N4O3 — CID 19989291

IUPACN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CC(CC)O1
InChIInChI=1S/C24H48N4O3/c1-5-23-19-28(20-24(6-2)31-23)12-9-25(7-10-26-13-15-29-21(3)17-26)8-11-27-14-16-30-22(4)18-27/h21-24H,5-20H2,1-4H3
InChIKeyYMNPVGRGEAKIOF-UHFFFAOYSA-N
MW440.67 g/mol
LogP1.62
Rot. Bonds11

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

N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (PubChem CID 19989291) has the molecular formula C24H48N4O3 and a molecular weight of 440.67 g/mol. Its IUPAC name is N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
PubChem CID19989291
Molecular FormulaC24H48N4O3
Molecular Weight440.67 g/mol
Exact Mass440.37
IUPAC NameN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CC(CC)O1
InChIInChI=1S/C24H48N4O3/c1-5-23-19-28(20-24(6-2)31-23)12-9-25(7-10-26-13-15-29-21(3)17-26)8-11-27-14-16-30-22(4)18-27/h21-24H,5-20H2,1-4H3
InChIKeyYMNPVGRGEAKIOF-UHFFFAOYSA-N
XLogP1.62
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The IUPAC name of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (CID 19989291) is N-[2-(2,6-diethylmorpholin-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-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The canonical SMILES for N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine is CCC1CN(CCN(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CC(CC)O1.
What is the InChIKey of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The InChIKey is YMNPVGRGEAKIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O3/c1-5-23-19-28(20-24(6-2)31-23)12-9-25(7-10-26-13-15-29-21(3)17-26)8-11-27-14-16-30-22(4)18-27/h21-24H,5-20H2,1-4H3.
What are the key properties of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine has a molecular weight of 440.67 g/mol, XLogP of 1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 19989291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).