N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine

C15H19N3O2 — CID 104759795

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCOC1(CNCc2cnc3ccccc3n2)CCOC1
InChIInChI=1S/C15H19N3O2/c1-19-15(6-7-20-11-15)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,16H,6-8,10-11H2,1H3
InChIKeyATMDJYSHCBSKOR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.52
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine (PubChem CID 104759795) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
PubChem CID104759795
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCOC1(CNCc2cnc3ccccc3n2)CCOC1
InChIInChI=1S/C15H19N3O2/c1-19-15(6-7-20-11-15)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,16H,6-8,10-11H2,1H3
InChIKeyATMDJYSHCBSKOR-UHFFFAOYSA-N
XLogP1.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
CID 63821652
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-isoquinolin-5-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704943
4-methyl-1-[(quinoxalin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65118041
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 107163357
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine (CID 104759795) is N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine is COC1(CNCc2cnc3ccccc3n2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine?
The InChIKey is ATMDJYSHCBSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-15(6-7-20-11-15)10-16-8-12-9-17-13-4-2-3-5-14(13)18-12/h2-5,9,16H,6-8,10-11H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 104759795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).