2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C15H28N4O2 — CID 106965895

IUPAC2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CC(C)(C)OC(C)(C)C2)o1
InChIInChI=1S/C15H28N4O2/c1-11(2)7-16-8-12-17-18-13(20-12)19-9-14(3,4)21-15(5,6)10-19/h11,16H,7-10H2,1-6H3
InChIKeyDIRUZAXTORHRTJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106965895) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106965895
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CC(C)(C)OC(C)(C)C2)o1
InChIInChI=1S/C15H28N4O2/c1-11(2)7-16-8-12-17-18-13(20-12)19-9-14(3,4)21-15(5,6)10-19/h11,16H,7-10H2,1-6H3
InChIKeyDIRUZAXTORHRTJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106965895) is 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(N2CC(C)(C)OC(C)(C)C2)o1.
What is the InChIKey of 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is DIRUZAXTORHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)7-16-8-12-17-18-13(20-12)19-9-14(3,4)21-15(5,6)10-19/h11,16H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 296.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106965895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).