6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one

C11H22N2O2 — CID 115068043

IUPAC6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
SMILESCC(C)(C)CN1CC(C)(CN)OCC1=O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-13-8-11(4,6-12)15-5-9(13)14/h5-8,12H2,1-4H3
InChIKeyZXLQIEFETMZNPY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds2

About 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one

6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one (PubChem CID 115068043) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
PubChem CID115068043
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
SMILESCC(C)(C)CN1CC(C)(CN)OCC1=O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)7-13-8-11(4,6-12)15-5-9(13)14/h5-8,12H2,1-4H3
InChIKeyZXLQIEFETMZNPY-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one (CID 115068043) is 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one is CC(C)(C)CN1CC(C)(CN)OCC1=O.
What is the InChIKey of 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one?
The InChIKey is ZXLQIEFETMZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)7-13-8-11(4,6-12)15-5-9(13)14/h5-8,12H2,1-4H3.
What are the key properties of 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one?
6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 115068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).