N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine

C15H25N3O — CID 107139181

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)C1CCCOC1
InChIInChI=1S/C15H25N3O/c1-4-14-13(9-11(3)17-18-14)15(16-5-2)12-7-6-8-19-10-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeyQBUSGYPTGRDREA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine

N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107139181) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107139181
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)nnc1CC)C1CCCOC1
InChIInChI=1S/C15H25N3O/c1-4-14-13(9-11(3)17-18-14)15(16-5-2)12-7-6-8-19-10-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeyQBUSGYPTGRDREA-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139182
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
N-[(2,5-dibromo-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 81473120
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105079539
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine (CID 107139181) is N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cc(C)nnc1CC)C1CCCOC1.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is QBUSGYPTGRDREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-14-13(9-11(3)17-18-14)15(16-5-2)12-7-6-8-19-10-12/h9,12,15-16H,4-8,10H2,1-3H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107139181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).