4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine

C24H50N4O3 — CID 69044162

IUPAC4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine
SMILESCCN(CC)CCC(COCC(CCN(CC)CC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C24H50N4O3/c1-5-25(6-2)11-9-23(27-13-17-29-18-14-27)21-31-22-24(10-12-26(7-3)8-4)28-15-19-30-20-16-28/h23-24H,5-22H2,1-4H3
InChIKeyBTSFQSZKIOIBQE-UHFFFAOYSA-N
MW442.69 g/mol
LogP1.87
Rot. Bonds16

About 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine

4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine (PubChem CID 69044162) has the molecular formula C24H50N4O3 and a molecular weight of 442.69 g/mol. Its IUPAC name is 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine
PubChem CID69044162
Molecular FormulaC24H50N4O3
Molecular Weight442.69 g/mol
Exact Mass442.39
IUPAC Name4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine
SMILESCCN(CC)CCC(COCC(CCN(CC)CC)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C24H50N4O3/c1-5-25(6-2)11-9-23(27-13-17-29-18-14-27)21-31-22-24(10-12-26(7-3)8-4)28-15-19-30-20-16-28/h23-24H,5-22H2,1-4H3
InChIKeyBTSFQSZKIOIBQE-UHFFFAOYSA-N
XLogP1.87
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.69
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine?
The IUPAC name of 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine (CID 69044162) is 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine is CCN(CC)CCC(COCC(CCN(CC)CC)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine?
The InChIKey is BTSFQSZKIOIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4O3/c1-5-25(6-2)11-9-23(27-13-17-29-18-14-27)21-31-22-24(10-12-26(7-3)8-4)28-15-19-30-20-16-28/h23-24H,5-22H2,1-4H3.
What are the key properties of 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine?
4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine has a molecular weight of 442.69 g/mol, XLogP of 1.87, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-2-morpholin-4-ylbutoxy]-N,N-diethyl-3-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 69044162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).