ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate

C15H30N2O3 — CID 64727585

IUPACethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CC(C)OC(C)C1)NC
InChIInChI=1S/C15H30N2O3/c1-7-19-14(18)15(5,16-6)8-11(2)17-9-12(3)20-13(4)10-17/h11-13,16H,7-10H2,1-6H3
InChIKeyDHKOIRPMLIPPNN-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds6

About ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64727585) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
PubChem CID64727585
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CC(C)OC(C)C1)NC
InChIInChI=1S/C15H30N2O3/c1-7-19-14(18)15(5,16-6)8-11(2)17-9-12(3)20-13(4)10-17/h11-13,16H,7-10H2,1-6H3
InChIKeyDHKOIRPMLIPPNN-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
methyl 2-methyl-2-(methylamino)-4-(2-methylmorpholin-4-yl)pentanoate
CID 64726592
ethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 83221834
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 2-methyl-2-(methylamino)-4-(oxetan-3-ylsulfanyl)pentanoate
CID 79326786
2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentan-1-ol
CID 104961371
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate (CID 64727585) is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)N1CC(C)OC(C)C1)NC.
What is the InChIKey of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is DHKOIRPMLIPPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-19-14(18)15(5,16-6)8-11(2)17-9-12(3)20-13(4)10-17/h11-13,16H,7-10H2,1-6H3.
What are the key properties of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64727585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).