N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine

C22H44N4O3 — CID 19989281

IUPACN-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-4-22-19-26(13-16-29-22)10-7-23(5-8-24-11-14-27-20(2)17-24)6-9-25-12-15-28-21(3)18-25/h20-22H,4-19H2,1-3H3
InChIKeyCILQUJDZQNZGRK-UHFFFAOYSA-N
MW412.62 g/mol
LogP0.84
Rot. Bonds10

About N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine

N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (PubChem CID 19989281) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
PubChem CID19989281
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-4-22-19-26(13-16-29-22)10-7-23(5-8-24-11-14-27-20(2)17-24)6-9-25-12-15-28-21(3)18-25/h20-22H,4-19H2,1-3H3
InChIKeyCILQUJDZQNZGRK-UHFFFAOYSA-N
XLogP0.84
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine (CID 19989281) is N-[2-(2-ethylmorpholin-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-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The canonical SMILES for N-[2-(2-ethylmorpholin-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)CCO1.
What is the InChIKey of N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
The InChIKey is CILQUJDZQNZGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-4-22-19-26(13-16-29-22)10-7-23(5-8-24-11-14-27-20(2)17-24)6-9-25-12-15-28-21(3)18-25/h20-22H,4-19H2,1-3H3.
What are the key properties of N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine?
N-[2-(2-ethylmorpholin-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, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 19989281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).