N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine

C13H21N3O — CID 107139268

IUPACN-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)C1CCCOC1
InChIInChI=1S/C13H21N3O/c1-3-14-13(11-5-4-6-17-9-11)12-8-15-10(2)7-16-12/h7-8,11,13-14H,3-6,9H2,1-2H3
InChIKeyQYCIUWGIPJEBMM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine

N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107139268) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107139268
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)C1CCCOC1
InChIInChI=1S/C13H21N3O/c1-3-14-13(11-5-4-6-17-9-11)12-8-15-10(2)7-16-12/h7-8,11,13-14H,3-6,9H2,1-2H3
InChIKeyQYCIUWGIPJEBMM-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421
N-[(2,5-dibromo-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 81473120
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107136962
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine (CID 107139268) is N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cnc(C)cn1)C1CCCOC1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is QYCIUWGIPJEBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-14-13(11-5-4-6-17-9-11)12-8-15-10(2)7-16-12/h7-8,11,13-14H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107139268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).