3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride

C11H23ClN2O2 — CID 119751436

IUPAC3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCCC1CN(C(=O)CC(C)N)CC(C)O1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-10-7-13(6-9(3)15-10)11(14)5-8(2)12;/h8-10H,4-7,12H2,1-3H3;1H
InChIKeyHALKPHNAJIYOBX-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride

3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride (PubChem CID 119751436) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
PubChem CID119751436
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
SMILESCCC1CN(C(=O)CC(C)N)CC(C)O1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-10-7-13(6-9(3)15-10)11(14)5-8(2)12;/h8-10H,4-7,12H2,1-3H3;1H
InChIKeyHALKPHNAJIYOBX-UHFFFAOYSA-N
XLogP1.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
(1-aminocyclopropyl)-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119751390
2-(cyclopropylmethylamino)-1-(2-ethyl-6-methylmorpholin-4-yl)ethanone;hydrochloride
CID 119751420
3-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66371606
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120789971
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-3-aminobutan-1-one;hydrochloride
CID 119803653
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119751448
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride (CID 119751436) is 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride is CCC1CN(C(=O)CC(C)N)CC(C)O1.Cl.
What is the InChIKey of 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride?
The InChIKey is HALKPHNAJIYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-4-10-7-13(6-9(3)15-10)11(14)5-8(2)12;/h8-10H,4-7,12H2,1-3H3;1H.
What are the key properties of 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride?
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119751436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).