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

C24H48N4O3 — CID 67928014

IUPAC3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C24H48N4O3/c1-5-22-17-26(11-13-29-22)9-7-24(25,19-28-15-20(3)31-21(4)16-28)8-10-27-12-14-30-23(6-2)18-27/h20-23H,5-19,25H2,1-4H3
InChIKeyHZGFVZJGAIYYKX-UHFFFAOYSA-N
MW440.67 g/mol
LogP1.79
Rot. Bonds10

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

3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine (PubChem CID 67928014) has the molecular formula C24H48N4O3 and a molecular weight of 440.67 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
PubChem CID67928014
Molecular FormulaC24H48N4O3
Molecular Weight440.67 g/mol
Exact Mass440.37
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C24H48N4O3/c1-5-22-17-26(11-13-29-22)9-7-24(25,19-28-15-20(3)31-21(4)16-28)8-10-27-12-14-30-23(6-2)18-27/h20-23H,5-19,25H2,1-4H3
InChIKeyHZGFVZJGAIYYKX-UHFFFAOYSA-N
XLogP1.79
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine (CID 67928014) is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine is CCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(C)OC(C)C2)CCO1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The InChIKey is HZGFVZJGAIYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O3/c1-5-22-17-26(11-13-29-22)9-7-24(25,19-28-15-20(3)31-21(4)16-28)8-10-27-12-14-30-23(6-2)18-27/h20-23H,5-19,25H2,1-4H3.
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine has a molecular weight of 440.67 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine is sourced from PubChem (CID 67928014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).