1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

C22H44N4O3 — CID 54066041

IUPAC1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CCOCC2)CCO1
InChIInChI=1S/C22H44N4O3/c1-3-20-17-24(11-15-28-20)7-5-22(23,19-26-9-13-27-14-10-26)6-8-25-12-16-29-21(4-2)18-25/h20-21H,3-19,23H2,1-2H3
InChIKeyMDAZWKGEGNJKIV-UHFFFAOYSA-N
MW412.62 g/mol
LogP1.02
Rot. Bonds10

About 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (PubChem CID 54066041) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
PubChem CID54066041
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC Name1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CCOCC2)CCO1
InChIInChI=1S/C22H44N4O3/c1-3-20-17-24(11-15-28-20)7-5-22(23,19-26-9-13-27-14-10-26)6-8-25-12-16-29-21(4-2)18-25/h20-21H,3-19,23H2,1-2H3
InChIKeyMDAZWKGEGNJKIV-UHFFFAOYSA-N
XLogP1.02
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The IUPAC name of 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (CID 54066041) is 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is CCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CCOCC2)CCO1.
What is the InChIKey of 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The InChIKey is MDAZWKGEGNJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-3-20-17-24(11-15-28-20)7-5-22(23,19-26-9-13-27-14-10-26)6-8-25-12-16-29-21(4-2)18-25/h20-21H,3-19,23H2,1-2H3.
What are the key properties of 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine has a molecular weight of 412.62 g/mol, XLogP of 1.02, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 54066041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).