4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one

C14H27N3O2 — CID 63299400

IUPAC4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
SMILESCCN(CCCC(=O)N1CCOCC1)C1CCNC1
InChIInChI=1S/C14H27N3O2/c1-2-16(13-5-6-15-12-13)7-3-4-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3
InChIKeyXULDMMLUHZZFNT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds6

About 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one

4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one (PubChem CID 63299400) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
PubChem CID63299400
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
SMILESCCN(CCCC(=O)N1CCOCC1)C1CCNC1
InChIInChI=1S/C14H27N3O2/c1-2-16(13-5-6-15-12-13)7-3-4-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3
InChIKeyXULDMMLUHZZFNT-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630
4-[cyclobutyl(3-hydroxypropyl)amino]-1-morpholin-4-ylbutan-1-one
CID 102858461
N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-pyrrolidin-3-ylacetamide
CID 119554262
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 63299689
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
N-cyclopropyl-3-[ethyl(pyrrolidin-3-yl)amino]propanamide
CID 63300096
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one (CID 63299400) is 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one is CCN(CCCC(=O)N1CCOCC1)C1CCNC1.
What is the InChIKey of 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one?
The InChIKey is XULDMMLUHZZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-16(13-5-6-15-12-13)7-3-4-14(18)17-8-10-19-11-9-17/h13,15H,2-12H2,1H3.
What are the key properties of 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one?
4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 63299400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).