1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

C26H52N4O3 — CID 54345253

IUPAC1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOCC2)CC(CC)O1
InChIInChI=1S/C26H52N4O3/c1-5-22-17-29(18-23(6-2)32-22)11-9-26(27,21-28-13-15-31-16-14-28)10-12-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3
InChIKeyUBWLYQCBZVFKDW-UHFFFAOYSA-N
MW468.73 g/mol
LogP2.58
Rot. Bonds12

About 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (PubChem CID 54345253) has the molecular formula C26H52N4O3 and a molecular weight of 468.73 g/mol. Its IUPAC name is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
PubChem CID54345253
Molecular FormulaC26H52N4O3
Molecular Weight468.73 g/mol
Exact Mass468.40
IUPAC Name1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOCC2)CC(CC)O1
InChIInChI=1S/C26H52N4O3/c1-5-22-17-29(18-23(6-2)32-22)11-9-26(27,21-28-13-15-31-16-14-28)10-12-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3
InChIKeyUBWLYQCBZVFKDW-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

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Related Compounds

3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
CID 67928020
3-[(2,6-diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine
CID 54523582
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
N-[2-(2-ethylmorpholin-4-yl)ethyl]-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)ethanamine
CID 19989285
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
4-(3-ethoxy-3-methylbutyl)morpholine
CID 167018299
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
2,2-dimethyl-4-morpholin-4-ylbutanethioamide
CID 65247018
2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanenitrile
CID 62974570

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The IUPAC name of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (CID 54345253) is 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is CCC1CN(CCC(N)(CCN2CC(CC)OC(CC)C2)CN2CCOCC2)CC(CC)O1.
What is the InChIKey of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The InChIKey is UBWLYQCBZVFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O3/c1-5-22-17-29(18-23(6-2)32-22)11-9-26(27,21-28-13-15-31-16-14-28)10-12-30-19-24(7-3)33-25(8-4)20-30/h22-25H,5-21,27H2,1-4H3.
What are the key properties of 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)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 1,5-bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 54345253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).