N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C15H27N3O2 — CID 102746029

IUPACN-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC(C)(C)OC(C)(C)C2)on1
InChIInChI=1S/C15H27N3O2/c1-6-16-8-12-7-13(19-17-12)9-18-10-14(2,3)20-15(4,5)11-18/h7,16H,6,8-11H2,1-5H3
InChIKeyQNDAQQXALOQLGA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.17
Rot. Bonds5

About N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 102746029) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID102746029
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CC(C)(C)OC(C)(C)C2)on1
InChIInChI=1S/C15H27N3O2/c1-6-16-8-12-7-13(19-17-12)9-18-10-14(2,3)20-15(4,5)11-18/h7,16H,6,8-11H2,1-5H3
InChIKeyQNDAQQXALOQLGA-UHFFFAOYSA-N
XLogP2.17
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 102746029) is N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CC(C)(C)OC(C)(C)C2)on1.
What is the InChIKey of N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is QNDAQQXALOQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-16-8-12-7-13(19-17-12)9-18-10-14(2,3)20-15(4,5)11-18/h7,16H,6,8-11H2,1-5H3.
What are the key properties of N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 102746029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).