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

C26H52N4O3 — CID 67928020

IUPAC3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C26H52N4O3/c1-5-22-17-28(13-15-31-22)11-9-26(27,10-12-29-14-16-32-23(6-2)18-29)21-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3
InChIKeyGDMQBDBSARCLGD-UHFFFAOYSA-N
MW468.73 g/mol
LogP2.58
Rot. Bonds12

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

3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine (PubChem CID 67928020) 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-ethylmorpholin-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
PubChem CID67928020
Molecular FormulaC26H52N4O3
Molecular Weight468.73 g/mol
Exact Mass468.40
IUPAC Name3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(CC)OC(CC)C2)CCO1
InChIInChI=1S/C26H52N4O3/c1-5-22-17-28(13-15-31-22)11-9-26(27,10-12-29-14-16-32-23(6-2)18-29)21-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3
InChIKeyGDMQBDBSARCLGD-UHFFFAOYSA-N
XLogP2.58
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(2,6-dimethylmorpholin-4-yl)pentan-3-amine
CID 54523582
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
2,4-diethylmorpholine
CID 58988021
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
N-[3-(2-ethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60850473
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
4-dodecyl-2-ethylmorpholine
CID 4616518
1-(2-ethylmorpholin-4-yl)-2-methylpropan-2-ol
CID 60885104
1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
CID 116695777

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The IUPAC name of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine (CID 67928020) is 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine.
What is the SMILES notation for 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The canonical SMILES for 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine is CCC1CN(CCC(N)(CCN2CCOC(CC)C2)CN2CC(CC)OC(CC)C2)CCO1.
What is the InChIKey of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
The InChIKey is GDMQBDBSARCLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O3/c1-5-22-17-28(13-15-31-22)11-9-26(27,10-12-29-14-16-32-23(6-2)18-29)21-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3.
What are the key properties of 3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine?
3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine has a molecular weight of 468.73 g/mol, XLogP of 2.58, 12 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-ethylmorpholin-4-yl)pentan-3-amine is sourced from PubChem (CID 67928020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).