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

C28H56N4O3 — CID 19989274

IUPACN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1
InChIInChI=1S/C28H56N4O3/c1-7-25-19-31(20-26(8-2)34-25)15-12-29(11-14-30-17-23(5)33-24(6)18-30)13-16-32-21-27(9-3)35-28(10-4)22-32/h23-28H,7-22H2,1-6H3
InChIKeyWGJMLMAWBDMMCX-UHFFFAOYSA-N
MW496.78 g/mol
LogP3.18
Rot. Bonds13

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

N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine (PubChem CID 19989274) has the molecular formula C28H56N4O3 and a molecular weight of 496.78 g/mol. Its IUPAC name is N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
PubChem CID19989274
Molecular FormulaC28H56N4O3
Molecular Weight496.78 g/mol
Exact Mass496.44
IUPAC NameN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1
InChIInChI=1S/C28H56N4O3/c1-7-25-19-31(20-26(8-2)34-25)15-12-29(11-14-30-17-23(5)33-24(6)18-30)13-16-32-21-27(9-3)35-28(10-4)22-32/h23-28H,7-22H2,1-6H3
InChIKeyWGJMLMAWBDMMCX-UHFFFAOYSA-N
XLogP3.18
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.78
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine (CID 19989274) is N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine is CCC1CN(CCN(CCN2CC(C)OC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1.
What is the InChIKey of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is WGJMLMAWBDMMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N4O3/c1-7-25-19-31(20-26(8-2)34-25)15-12-29(11-14-30-17-23(5)33-24(6)18-30)13-16-32-21-27(9-3)35-28(10-4)22-32/h23-28H,7-22H2,1-6H3.
What are the key properties of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 496.78 g/mol, XLogP of 3.18, 13 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-diethylmorpholin-4-yl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 19989274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).