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

C26H52N4O3 — CID 19989273

IUPACN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C26H52N4O3/c1-5-23-19-28(15-17-31-23)12-9-27(10-13-29-16-18-32-24(6-2)20-29)11-14-30-21-25(7-3)33-26(8-4)22-30/h23-26H,5-22H2,1-4H3
InChIKeyIKWVBHPUWBKHIQ-UHFFFAOYSA-N
MW468.73 g/mol
LogP2.40
Rot. Bonds13

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

N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine (PubChem CID 19989273) has the molecular formula C26H52N4O3 and a molecular weight of 468.73 g/mol. Its IUPAC name is N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine
PubChem CID19989273
Molecular FormulaC26H52N4O3
Molecular Weight468.73 g/mol
Exact Mass468.40
IUPAC NameN-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C26H52N4O3/c1-5-23-19-28(15-17-31-23)12-9-27(10-13-29-16-18-32-24(6-2)20-29)11-14-30-21-25(7-3)33-26(8-4)22-30/h23-26H,5-22H2,1-4H3
InChIKeyIKWVBHPUWBKHIQ-UHFFFAOYSA-N
XLogP2.40
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.73
LogP ≤ 52.40
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-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine?
The IUPAC name of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine (CID 19989273) is N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine.
What is the SMILES notation for N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine?
The canonical SMILES for N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine is CCC1CN(CCN(CCN2CCOC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1.
What is the InChIKey of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine?
The InChIKey is IKWVBHPUWBKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O3/c1-5-23-19-28(15-17-31-23)12-9-27(10-13-29-16-18-32-24(6-2)20-29)11-14-30-21-25(7-3)33-26(8-4)22-30/h23-26H,5-22H2,1-4H3.
What are the key properties of N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine?
N-[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine has a molecular weight of 468.73 g/mol, XLogP of 2.40, 13 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-ethylmorpholin-4-yl)-N-[2-(2-ethylmorpholin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 19989273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).