2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one

C13H22N4O2 — CID 114707083

IUPAC2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cncc1C(C)(C)N
InChIInChI=1S/C13H22N4O2/c1-10(12(18)16-4-6-19-7-5-16)17-9-15-8-11(17)13(2,3)14/h8-10H,4-7,14H2,1-3H3
InChIKeyMHDODFDRGDUSQH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.50
Rot. Bonds3

About 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one

2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 114707083) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID114707083
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cncc1C(C)(C)N
InChIInChI=1S/C13H22N4O2/c1-10(12(18)16-4-6-19-7-5-16)17-9-15-8-11(17)13(2,3)14/h8-10H,4-7,14H2,1-3H3
InChIKeyMHDODFDRGDUSQH-UHFFFAOYSA-N
XLogP0.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 113408727
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
CID 112690185
1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrole-2-carbothioamide
CID 114653770
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 104943623
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-imidazole-5-sulfonamide
CID 112692305

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 114707083) is 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1cncc1C(C)(C)N.
What is the InChIKey of 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MHDODFDRGDUSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(12(18)16-4-6-19-7-5-16)17-9-15-8-11(17)13(2,3)14/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 266.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropan-2-yl)imidazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 114707083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).