3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine

C22H44N4O3 — CID 67928018

IUPAC3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-4-21-17-26(11-14-29-21)18-22(23,5-7-24-9-12-27-19(2)15-24)6-8-25-10-13-28-20(3)16-25/h19-21H,4-18,23H2,1-3H3
InChIKeyFUFZNDUKAOEWJL-UHFFFAOYSA-N
MW412.62 g/mol
LogP1.02
Rot. Bonds9

About 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine

3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine (PubChem CID 67928018) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine
PubChem CID67928018
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC Name3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CCO1
InChIInChI=1S/C22H44N4O3/c1-4-21-17-26(11-14-29-21)18-22(23,5-7-24-9-12-27-19(2)15-24)6-8-25-10-13-28-20(3)16-25/h19-21H,4-18,23H2,1-3H3
InChIKeyFUFZNDUKAOEWJL-UHFFFAOYSA-N
XLogP1.02
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
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 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine?
The IUPAC name of 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine (CID 67928018) is 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine.
What is the SMILES notation for 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine?
The canonical SMILES for 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine is CCC1CN(CC(N)(CCN2CCOC(C)C2)CCN2CCOC(C)C2)CCO1.
What is the InChIKey of 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine?
The InChIKey is FUFZNDUKAOEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-4-21-17-26(11-14-29-21)18-22(23,5-7-24-9-12-27-19(2)15-24)6-8-25-10-13-28-20(3)16-25/h19-21H,4-18,23H2,1-3H3.
What are the key properties of 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine?
3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine has a molecular weight of 412.62 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine is sourced from PubChem (CID 67928018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).