1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine

C15H25N3O — CID 105138796

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCCc1nnc(C)cc1C(CC1CCOCC1)NC
InChIInChI=1S/C15H25N3O/c1-4-14-13(9-11(2)17-18-14)15(16-3)10-12-5-7-19-8-6-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeySSVVPVBGOKDFPR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 105138796) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID105138796
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCCc1nnc(C)cc1C(CC1CCOCC1)NC
InChIInChI=1S/C15H25N3O/c1-4-14-13(9-11(2)17-18-14)15(16-3)10-12-5-7-19-8-6-12/h9,12,15-16H,4-8,10H2,1-3H3
InChIKeySSVVPVBGOKDFPR-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-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
2-cyclopropyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105152857
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153848
N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
CID 105136569
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 107968191
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(furan-2-yl)-N-methylethanamine
CID 105177474
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 105091949
cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105176345

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 105138796) is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine is CCc1nnc(C)cc1C(CC1CCOCC1)NC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is SSVVPVBGOKDFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-14-13(9-11(2)17-18-14)15(16-3)10-12-5-7-19-8-6-12/h9,12,15-16H,4-8,10H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)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 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).