1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one

C15H28N2O3 — CID 78786496

IUPAC1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-10-6-16(7-11(2)19-10)14(5)15(18)17-8-12(3)20-13(4)9-17/h10-14H,6-9H2,1-5H3
InChIKeyJEODABWCZYYURA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.12
Rot. Bonds2

About 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one

1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 78786496) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID78786496
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C15H28N2O3/c1-10-6-16(7-11(2)19-10)14(5)15(18)17-8-12(3)20-13(4)9-17/h10-14H,6-9H2,1-5H3
InChIKeyJEODABWCZYYURA-UHFFFAOYSA-N
XLogP1.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 78786496) is 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is JEODABWCZYYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-6-16(7-11(2)19-10)14(5)15(18)17-8-12(3)20-13(4)9-17/h10-14H,6-9H2,1-5H3.
What are the key properties of 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one?
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 78786496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).