N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine

C15H21N3 — CID 123803613

IUPACN-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine
SMILESC=CC(=CC=CC)CNc1nnccc1C(C)C
InChIInChI=1S/C15H21N3/c1-5-7-8-13(6-2)11-16-15-14(12(3)4)9-10-17-18-15/h5-10,12H,2,11H2,1,3-4H3,(H,16,18)
InChIKeyNQDAGFPUORGMOR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.70
Rot. Bonds6

About N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine

N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine (PubChem CID 123803613) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine
PubChem CID123803613
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine
SMILESC=CC(=CC=CC)CNc1nnccc1C(C)C
InChIInChI=1S/C15H21N3/c1-5-7-8-13(6-2)11-16-15-14(12(3)4)9-10-17-18-15/h5-10,12H,2,11H2,1,3-4H3,(H,16,18)
InChIKeyNQDAGFPUORGMOR-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

SR 95002
CID 6410654
1,2-Ethanediamine, N-(5-phenyl-3-pyridazinyl)-, dihydrochloride
CID 6410658
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
CID 11808607
N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
CID 6410655
N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 71278408
N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
CID 175308244
3-(4,4-Difluoropiperidin-1-yl)-5-propan-2-ylpyridazine
CID 178495749
3-(3-Fluoro-5-methyl-4-propan-2-ylpiperazin-1-yl)-5-propan-2-ylpyridazine
CID 178724029
(3E,6Z)-5-ethyl-1-(5-ethylpyridazin-3-yl)-3-fluoro-5,8-dihydro-2H-azocine
CID 178724921
N-[(2Z,4R)-4-ethylhexa-2,5-dienyl]-N-(2-fluoroethyl)-5-propan-2-ylpyridazin-3-amine
CID 178726104
Ethyl-[2-[2-fluoroethyl-(5-propan-2-ylpyridazin-3-yl)amino]ethyl]-dimethylazanium
CID 178726145
4-(aminomethyl)-N-propylpyridazin-3-amine
CID 46848810

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine (CID 123803613) is N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine is C=CC(=CC=CC)CNc1nnccc1C(C)C.
What is the InChIKey of N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine?
The InChIKey is NQDAGFPUORGMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-7-8-13(6-2)11-16-15-14(12(3)4)9-10-17-18-15/h5-10,12H,2,11H2,1,3-4H3,(H,16,18).
What are the key properties of N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine?
N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylhexa-2,4-dienyl)-4-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 123803613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).