2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

C15H30N2O2 — CID 102743331

IUPAC2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-7-15(8-2,9-16)12(18)17-10-13(3,4)19-14(5,6)11-17/h7-11,16H2,1-6H3
InChIKeyFTJXJUXQZFHKDB-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (PubChem CID 102743331) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
PubChem CID102743331
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H30N2O2/c1-7-15(8-2,9-16)12(18)17-10-13(3,4)19-14(5,6)11-17/h7-11,16H2,1-6H3
InChIKeyFTJXJUXQZFHKDB-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one (CID 102743331) is 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is CCC(CC)(CN)C(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
The InChIKey is FTJXJUXQZFHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-15(8-2,9-16)12(18)17-10-13(3,4)19-14(5,6)11-17/h7-11,16H2,1-6H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 102743331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).