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

C10H21ClN2O2 — CID 119304817

IUPAC2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
SMILESCCC1CN(C(=O)C(C)N)CC(C)O1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-4-9-6-12(5-7(2)14-9)10(13)8(3)11;/h7-9H,4-6,11H2,1-3H3;1H
InChIKeyOFGGQUGSJWKITL-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.78
Rot. Bonds2

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

2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride (PubChem CID 119304817) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
PubChem CID119304817
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
SMILESCCC1CN(C(=O)C(C)N)CC(C)O1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-4-9-6-12(5-7(2)14-9)10(13)8(3)11;/h7-9H,4-6,11H2,1-3H3;1H
InChIKeyOFGGQUGSJWKITL-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride (CID 119304817) is 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride is CCC1CN(C(=O)C(C)N)CC(C)O1.Cl.
What is the InChIKey of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride?
The InChIKey is OFGGQUGSJWKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-4-9-6-12(5-7(2)14-9)10(13)8(3)11;/h7-9H,4-6,11H2,1-3H3;1H.
What are the key properties of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride?
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119304817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).