2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H26N2O3 — CID 62021785

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)N(CCCO)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-11(2)15(5-4-8-16)12(3)13(17)14-6-9-18-10-7-14/h11-12,16H,4-10H2,1-3H3
InChIKeyWRGZUPZESQCAPO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds6

About 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 62021785) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID62021785
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)N(CCCO)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-11(2)15(5-4-8-16)12(3)13(17)14-6-9-18-10-7-14/h11-12,16H,4-10H2,1-3H3
InChIKeyWRGZUPZESQCAPO-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 107485176
2-[cyclobutyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 102870010
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
CID 107703595
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
methyl 2-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 60660390
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63225345
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 62021785) is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(C)N(CCCO)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WRGZUPZESQCAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)15(5-4-8-16)12(3)13(17)14-6-9-18-10-7-14/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 62021785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).