2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one

C16H30N2O3 — CID 56799483

IUPAC2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)C(C(C)C)N2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C16H30N2O3/c1-11(2)15(18-9-13(4)21-14(5)10-18)16(19)17-6-7-20-12(3)8-17/h11-15H,6-10H2,1-5H3
InChIKeyXCIPGCDUKDMRPF-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.37
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one (PubChem CID 56799483) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
PubChem CID56799483
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)C(C(C)C)N2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C16H30N2O3/c1-11(2)15(18-9-13(4)21-14(5)10-18)16(19)17-6-7-20-12(3)8-17/h11-15H,6-10H2,1-5H3
InChIKeyXCIPGCDUKDMRPF-UHFFFAOYSA-N
XLogP1.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one (CID 56799483) is 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one is CC1CN(C(=O)C(C(C)C)N2CC(C)OC(C)C2)CCO1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The InChIKey is XCIPGCDUKDMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)15(18-9-13(4)21-14(5)10-18)16(19)17-6-7-20-12(3)8-17/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one has a molecular weight of 298.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 56799483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).