2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

C11H22N2O2 — CID 24693911

IUPAC2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3
InChIKeyMNNFFQXHERUZKL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (PubChem CID 24693911) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
PubChem CID24693911
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCOC(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3
InChIKeyMNNFFQXHERUZKL-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (CID 24693911) is 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is CC(C)CC(N)C(=O)N1CCOC(C)C1.
What is the InChIKey of 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The InChIKey is MNNFFQXHERUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-10(12)11(14)13-4-5-15-9(3)7-13/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 24693911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).