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

C13H27ClN2O2 — CID 119751448

IUPAC2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CC(C)OC(CC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-5-7-13(4,14)12(16)15-8-10(3)17-11(6-2)9-15;/h10-11H,5-9,14H2,1-4H3;1H
InChIKeySZOOJTIXEIFRND-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.95
Rot. Bonds4

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

2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride (PubChem CID 119751448) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
PubChem CID119751448
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CC(C)OC(CC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-5-7-13(4,14)12(16)15-8-10(3)17-11(6-2)9-15;/h10-11H,5-9,14H2,1-4H3;1H
InChIKeySZOOJTIXEIFRND-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 120590349
(1-aminocyclopropyl)-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119751390
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119304817
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64604208
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119751436
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-2-propylpentanenitrile
CID 102932751
N-[[4-(2-amino-2-methylpentanoyl)morpholin-2-yl]methyl]acetamide;hydrochloride
CID 119788831
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride (CID 119751448) is 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CC(C)OC(CC)C1.Cl.
What is the InChIKey of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
The InChIKey is SZOOJTIXEIFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-5-7-13(4,14)12(16)15-8-10(3)17-11(6-2)9-15;/h10-11H,5-9,14H2,1-4H3;1H.
What are the key properties of 2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride?
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.95, 4 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)-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).