2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine

C28H44N2 — CID 173331163

IUPAC2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine
SMILESCCCCCCCCCCCCc1ccccc1C1=CN(C2CCCCC2)NC=C1
InChIInChI=1S/C28H44N2/c1-2-3-4-5-6-7-8-9-10-12-17-25-18-15-16-21-28(25)26-22-23-29-30(24-26)27-19-13-11-14-20-27/h15-16,18,21-24,27,29H,2-14,17,19-20H2,1H3
InChIKeyJRMZQYFXWVAJLZ-UHFFFAOYSA-N
MW408.67 g/mol
LogP8.16
Rot. Bonds13

About 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine

2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine (PubChem CID 173331163) has the molecular formula C28H44N2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine
PubChem CID173331163
Molecular FormulaC28H44N2
Molecular Weight408.67 g/mol
Exact Mass408.35
IUPAC Name2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine
SMILESCCCCCCCCCCCCc1ccccc1C1=CN(C2CCCCC2)NC=C1
InChIInChI=1S/C28H44N2/c1-2-3-4-5-6-7-8-9-10-12-17-25-18-15-16-21-28(25)26-22-23-29-30(24-26)27-19-13-11-14-20-27/h15-16,18,21-24,27,29H,2-14,17,19-20H2,1H3
InChIKeyJRMZQYFXWVAJLZ-UHFFFAOYSA-N
XLogP8.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-cyclohexyl-2-heptylbenzene
CID 154399814
1,2-dihexylbenzene;hydrate
CID 172833093
1-(chloromethyl)-2-decylbenzene
CID 14385709
1-butyl-2-cyclohexa-1,5-dien-1-ylbenzene
CID 173142275
1-ethyl-2-henicosylbenzene
CID 141174443
1-cyclopropyl-2-hexylbenzene
CID 172995295
1,2-didecylbenzene;phosphonous acid
CID 70526437

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine?
The IUPAC name of 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine (CID 173331163) is 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine.
What is the SMILES notation for 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine?
The canonical SMILES for 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine is CCCCCCCCCCCCc1ccccc1C1=CN(C2CCCCC2)NC=C1.
What is the InChIKey of 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine?
The InChIKey is JRMZQYFXWVAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2/c1-2-3-4-5-6-7-8-9-10-12-17-25-18-15-16-21-28(25)26-22-23-29-30(24-26)27-19-13-11-14-20-27/h15-16,18,21-24,27,29H,2-14,17,19-20H2,1H3.
What are the key properties of 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine?
2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine has a molecular weight of 408.67 g/mol, XLogP of 8.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-dodecylphenyl)-1H-pyridazine is sourced from PubChem (CID 173331163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).