2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine

C14H23N3O3 — CID 114775746

IUPAC2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
SMILESCCCOc1cncc(OCC2CNCC(C)(C)O2)n1
InChIInChI=1S/C14H23N3O3/c1-4-5-18-12-7-15-8-13(17-12)19-9-11-6-16-10-14(2,3)20-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyATJWKVCHBUBSSJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.41
Rot. Bonds6

About 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine

2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine (PubChem CID 114775746) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
PubChem CID114775746
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
SMILESCCCOc1cncc(OCC2CNCC(C)(C)O2)n1
InChIInChI=1S/C14H23N3O3/c1-4-5-18-12-7-15-8-13(17-12)19-9-11-6-16-10-14(2,3)20-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyATJWKVCHBUBSSJ-UHFFFAOYSA-N
XLogP1.41
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine?
The IUPAC name of 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine (CID 114775746) is 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine?
The canonical SMILES for 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine is CCCOc1cncc(OCC2CNCC(C)(C)O2)n1.
What is the InChIKey of 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine?
The InChIKey is ATJWKVCHBUBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-18-12-7-15-8-13(17-12)19-9-11-6-16-10-14(2,3)20-11/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine?
2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine has a molecular weight of 281.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine is sourced from PubChem (CID 114775746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).