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

C26H52N4O3 — CID 54523582

IUPAC3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CC(CC)O1
InChIInChI=1S/C26H52N4O3/c1-7-24-17-30(18-25(8-2)33-24)19-26(27,9-11-28-13-20(3)31-21(4)14-28)10-12-29-15-22(5)32-23(6)16-29/h20-25H,7-19,27H2,1-6H3
InChIKeyYRNZAAULDGBFFE-UHFFFAOYSA-N
MW468.73 g/mol
LogP2.57
Rot. Bonds10

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

3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine (PubChem CID 54523582) has the molecular formula C26H52N4O3 and a molecular weight of 468.73 g/mol. Its IUPAC name is 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine
PubChem CID54523582
Molecular FormulaC26H52N4O3
Molecular Weight468.73 g/mol
Exact Mass468.40
IUPAC Name3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CC(CC)O1
InChIInChI=1S/C26H52N4O3/c1-7-24-17-30(18-25(8-2)33-24)19-26(27,9-11-28-13-20(3)31-21(4)14-28)10-12-29-15-22(5)32-23(6)16-29/h20-25H,7-19,27H2,1-6H3
InChIKeyYRNZAAULDGBFFE-UHFFFAOYSA-N
XLogP2.57
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine with MolForge

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Related Compounds

1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 54345253
3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
CID 67928020
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2-(chloromethyl)-4-(3,3-dimethylbutyl)-6-methylmorpholine
CID 102936701
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 55085604
4-[2-(bromomethyl)-2-propylpentyl]-2,6-dimethylmorpholine
CID 65005268
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine?
The IUPAC name of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine (CID 54523582) is 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine.
What is the SMILES notation for 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine?
The canonical SMILES for 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine is CCC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CC(CC)O1.
What is the InChIKey of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine?
The InChIKey is YRNZAAULDGBFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O3/c1-7-24-17-30(18-25(8-2)33-24)19-26(27,9-11-28-13-20(3)31-21(4)14-28)10-12-29-15-22(5)32-23(6)16-29/h20-25H,7-19,27H2,1-6H3.
What are the key properties of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine?
3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine has a molecular weight of 468.73 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine is sourced from PubChem (CID 54523582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).