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

C14H23N3O — CID 107139182

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1nnc(C)cc1C(NC)C1CCCOC1
InChIInChI=1S/C14H23N3O/c1-4-13-12(8-10(2)16-17-13)14(15-3)11-6-5-7-18-9-11/h8,11,14-15H,4-7,9H2,1-3H3
InChIKeyYXPBGNZHOWATFW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds4

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

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107139182) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107139182
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCc1nnc(C)cc1C(NC)C1CCCOC1
InChIInChI=1S/C14H23N3O/c1-4-13-12(8-10(2)16-17-13)14(15-3)11-6-5-7-18-9-11/h8,11,14-15H,4-7,9H2,1-3H3
InChIKeyYXPBGNZHOWATFW-UHFFFAOYSA-N
XLogP2.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-6-methylpyridazin-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139181
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153848
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139176
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 105138796
N-[cyclohexyl-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105079704
1-(2-ethylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107139167
cycloheptyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105176345
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
1-(2-bromo-3-methylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 114024257
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107139182) is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine is CCc1nnc(C)cc1C(NC)C1CCCOC1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is YXPBGNZHOWATFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-13-12(8-10(2)16-17-13)14(15-3)11-6-5-7-18-9-11/h8,11,14-15H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.03, 4 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-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107139182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).