1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine

C27H54N4O3 — CID 67928015

IUPAC1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOC(C)C2)CC(CC)O1
InChIInChI=1S/C27H54N4O3/c1-6-23-17-29(18-24(7-2)33-23)12-10-27(28,21-31-14-15-32-22(5)16-31)11-13-30-19-25(8-3)34-26(9-4)20-30/h22-26H,6-21,28H2,1-5H3
InChIKeyFNWTUXOFFLEFFG-UHFFFAOYSA-N
MW482.75 g/mol
LogP2.96
Rot. Bonds12

About 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine

1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine (PubChem CID 67928015) has the molecular formula C27H54N4O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
PubChem CID67928015
Molecular FormulaC27H54N4O3
Molecular Weight482.75 g/mol
Exact Mass482.42
IUPAC Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOC(C)C2)CC(CC)O1
InChIInChI=1S/C27H54N4O3/c1-6-23-17-29(18-24(7-2)33-23)12-10-27(28,21-31-14-15-32-22(5)16-31)11-13-30-19-25(8-3)34-26(9-4)20-30/h22-26H,6-21,28H2,1-5H3
InChIKeyFNWTUXOFFLEFFG-UHFFFAOYSA-N
XLogP2.96
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The IUPAC name of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine (CID 67928015) is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine is CCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOC(C)C2)CC(CC)O1.
What is the InChIKey of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The InChIKey is FNWTUXOFFLEFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N4O3/c1-6-23-17-29(18-24(7-2)33-23)12-10-27(28,21-31-14-15-32-22(5)16-31)11-13-30-19-25(8-3)34-26(9-4)20-30/h22-26H,6-21,28H2,1-5H3.
What are the key properties of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine has a molecular weight of 482.75 g/mol, XLogP of 2.96, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 67928015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).