1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine

C11H19N3O — CID 105165411

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(C)nnc1C
InChIInChI=1S/C11H19N3O/c1-4-5-15-7-11(12)10-6-8(2)13-14-9(10)3/h6,11H,4-5,7,12H2,1-3H3
InChIKeyVMUKWNWNZFWION-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds5

About 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine

1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine (PubChem CID 105165411) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
PubChem CID105165411
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine
SMILESCCCOCC(N)c1cc(C)nnc1C
InChIInChI=1S/C11H19N3O/c1-4-5-15-7-11(12)10-6-8(2)13-14-9(10)3/h6,11H,4-5,7,12H2,1-3H3
InChIKeyVMUKWNWNZFWION-UHFFFAOYSA-N
XLogP1.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethyl]hydrazine
CID 105321504
1-(3-ethyl-6-methylpyridazin-4-yl)-2-propoxyethanol
CID 105111921
1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
CID 62789887
1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105082248
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214
N-[1-(3,6-dimethylpyridazin-4-yl)-2-methoxyethyl]propan-1-amine
CID 105165710
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine
CID 114210905
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine (CID 105165411) is 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine is CCCOCC(N)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine?
The InChIKey is VMUKWNWNZFWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-15-7-11(12)10-6-8(2)13-14-9(10)3/h6,11H,4-5,7,12H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine?
1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-propoxyethanamine is sourced from PubChem (CID 105165411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).