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

C28H56N4O3 — CID 19989284

IUPAC1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CC(CC)OC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C28H56N4O3/c1-6-23-17-32(15-16-33-23)22-28(29,11-13-30-18-24(7-2)34-25(8-3)19-30)12-14-31-20-26(9-4)35-27(10-5)21-31/h23-27H,6-22,29H2,1-5H3
InChIKeyNBXDZMPNHQMMKE-UHFFFAOYSA-N
MW496.78 g/mol
LogP3.35
Rot. Bonds13

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

1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine (PubChem CID 19989284) has the molecular formula C28H56N4O3 and a molecular weight of 496.78 g/mol. Its IUPAC name is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine
PubChem CID19989284
Molecular FormulaC28H56N4O3
Molecular Weight496.78 g/mol
Exact Mass496.44
IUPAC Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CC(CC)OC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C28H56N4O3/c1-6-23-17-32(15-16-33-23)22-28(29,11-13-30-18-24(7-2)34-25(8-3)19-30)12-14-31-20-26(9-4)35-27(10-5)21-31/h23-27H,6-22,29H2,1-5H3
InChIKeyNBXDZMPNHQMMKE-UHFFFAOYSA-N
XLogP3.35
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.78
LogP ≤ 53.35
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-ethylmorpholin-4-yl)methyl]pentan-3-amine?
The IUPAC name of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine (CID 19989284) is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine is CCC1CN(CC(N)(CCN2CC(CC)OC(CC)C2)CCN2CC(CC)OC(CC)C2)CCO1.
What is the InChIKey of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine?
The InChIKey is NBXDZMPNHQMMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N4O3/c1-6-23-17-32(15-16-33-23)22-28(29,11-13-30-18-24(7-2)34-25(8-3)19-30)12-14-31-20-26(9-4)35-27(10-5)21-31/h23-27H,6-22,29H2,1-5H3.
What are the key properties of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine?
1,5-bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine has a molecular weight of 496.78 g/mol, XLogP of 3.35, 13 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-ethylmorpholin-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 19989284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).