3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one

C17H31NO3 — CID 3559188

IUPAC3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCOCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3
InChIKeyLNRDXHLVGYUFPT-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.71
Rot. Bonds4

About 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one

3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 3559188) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID3559188
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCOCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3
InChIKeyLNRDXHLVGYUFPT-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one (CID 3559188) is 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one is CC(C)C(CC(=O)N1CCOCC1)C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is LNRDXHLVGYUFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one?
3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 297.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-4-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 3559188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).