1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione

C13H24N2O3 — CID 166977904

IUPAC1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione
SMILESCNC(C)(C)C1COCC(C)(C)N1C(=O)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(16)11(17)15-10(13(4,5)14-6)7-18-8-12(15,2)3/h10,14H,7-8H2,1-6H3
InChIKeyBJAQABYWJBTFKO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.58
Rot. Bonds3

About 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione

1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione (PubChem CID 166977904) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione.

Molecular Properties

Compound Name1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione
PubChem CID166977904
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione
SMILESCNC(C)(C)C1COCC(C)(C)N1C(=O)C(C)=O
InChIInChI=1S/C13H24N2O3/c1-9(16)11(17)15-10(13(4,5)14-6)7-18-8-12(15,2)3/h10,14H,7-8H2,1-6H3
InChIKeyBJAQABYWJBTFKO-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione?
The IUPAC name of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione (CID 166977904) is 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione.
What is the SMILES notation for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione?
The canonical SMILES for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione is CNC(C)(C)C1COCC(C)(C)N1C(=O)C(C)=O.
What is the InChIKey of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione?
The InChIKey is BJAQABYWJBTFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(16)11(17)15-10(13(4,5)14-6)7-18-8-12(15,2)3/h10,14H,7-8H2,1-6H3.
What are the key properties of 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione?
1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione has a molecular weight of 256.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-5-[2-(methylamino)propan-2-yl]morpholin-4-yl]propane-1,2-dione is sourced from PubChem (CID 166977904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).