4-dodecan-4-yl-3-ethylpyridazine

C18H32N2 — CID 71088998

IUPAC4-dodecan-4-yl-3-ethylpyridazine
SMILESCCCCCCCCC(CCC)c1ccnnc1CC
InChIInChI=1S/C18H32N2/c1-4-7-8-9-10-11-13-16(12-5-2)17-14-15-19-20-18(17)6-3/h14-16H,4-13H2,1-3H3
InChIKeyIDFNUPQRFOVAOZ-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.67
Rot. Bonds11

About 4-dodecan-4-yl-3-ethylpyridazine

4-dodecan-4-yl-3-ethylpyridazine (PubChem CID 71088998) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-dodecan-4-yl-3-ethylpyridazine.

Molecular Properties

Compound Name4-dodecan-4-yl-3-ethylpyridazine
PubChem CID71088998
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-dodecan-4-yl-3-ethylpyridazine
SMILESCCCCCCCCC(CCC)c1ccnnc1CC
InChIInChI=1S/C18H32N2/c1-4-7-8-9-10-11-13-16(12-5-2)17-14-15-19-20-18(17)6-3/h14-16H,4-13H2,1-3H3
InChIKeyIDFNUPQRFOVAOZ-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-tri(nonan-4-yl)benzene
CID 57102647
3-dodecan-6-yl-4-methylpyridine
CID 129130745
1-ethyl-4-undecan-4-ylbenzene
CID 14568440
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
1-octacosan-4-ylnaphthalene
CID 54149804
2-decan-4-ylpyridine
CID 67882797
(2-dodecan-4-ylphenyl)-trimethylazanium
CID 155776713
3-dodecan-6-yl-N,N-dimethylpyridin-2-amine
CID 137465666
3-dodecan-5-yl-4-fluoropyridine
CID 130271983
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-pentadecan-6-ylphenol
CID 66865451
2,6-di(heptan-4-yl)aniline;2,6-di(nonan-5-yl)aniline
CID 161487195

Frequently Asked Questions

What is the IUPAC name of 4-dodecan-4-yl-3-ethylpyridazine?
The IUPAC name of 4-dodecan-4-yl-3-ethylpyridazine (CID 71088998) is 4-dodecan-4-yl-3-ethylpyridazine.
What is the SMILES notation for 4-dodecan-4-yl-3-ethylpyridazine?
The canonical SMILES for 4-dodecan-4-yl-3-ethylpyridazine is CCCCCCCCC(CCC)c1ccnnc1CC.
What is the InChIKey of 4-dodecan-4-yl-3-ethylpyridazine?
The InChIKey is IDFNUPQRFOVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-7-8-9-10-11-13-16(12-5-2)17-14-15-19-20-18(17)6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-dodecan-4-yl-3-ethylpyridazine?
4-dodecan-4-yl-3-ethylpyridazine has a molecular weight of 276.47 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecan-4-yl-3-ethylpyridazine is sourced from PubChem (CID 71088998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).