1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine

C18H33N3 — CID 105124682

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)nnc1CC
InChIInChI=1S/C18H33N3/c1-5-8-9-10-11-12-18(19-13-6-2)16-14-15(4)20-21-17(16)7-3/h14,18-19H,5-13H2,1-4H3
InChIKeyXILPIZHIHFXFSC-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.75
Rot. Bonds11

About 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine

1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine (PubChem CID 105124682) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
PubChem CID105124682
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)nnc1CC
InChIInChI=1S/C18H33N3/c1-5-8-9-10-11-12-18(19-13-6-2)16-14-15(4)20-21-17(16)7-3/h14,18-19H,5-13H2,1-4H3
InChIKeyXILPIZHIHFXFSC-UHFFFAOYSA-N
XLogP4.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-N-propylpentan-1-amine
CID 105176711
N-[2-cyclobutyl-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]propan-1-amine
CID 105151585
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-5-yn-1-amine
CID 105179583
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4-dimethylpentan-1-amine
CID 105140055
1-(3,6-dimethylpyridazin-4-yl)heptylhydrazine
CID 105294084
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534
N-propyl-1-(2,4,5-trifluorophenyl)octan-1-amine
CID 103303022
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 63405862
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
CID 105181467
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine (CID 105124682) is 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1cc(C)nnc1CC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine?
The InChIKey is XILPIZHIHFXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-8-9-10-11-12-18(19-13-6-2)16-14-15(4)20-21-17(16)7-3/h14,18-19H,5-13H2,1-4H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine?
1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-N-propyloctan-1-amine is sourced from PubChem (CID 105124682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).