3-methyl-4-(7-methyloct-6-enyl)pyridazine

C14H22N2 — CID 166909771

IUPAC3-methyl-4-(7-methyloct-6-enyl)pyridazine
SMILESCC(C)=CCCCCCc1ccnnc1C
InChIInChI=1S/C14H22N2/c1-12(2)8-6-4-5-7-9-14-10-11-15-16-13(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyMMCAOVVUBNMPRS-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.85
Rot. Bonds6

About 3-methyl-4-(7-methyloct-6-enyl)pyridazine

3-methyl-4-(7-methyloct-6-enyl)pyridazine (PubChem CID 166909771) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-methyl-4-(7-methyloct-6-enyl)pyridazine.

Molecular Properties

Compound Name3-methyl-4-(7-methyloct-6-enyl)pyridazine
PubChem CID166909771
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-methyl-4-(7-methyloct-6-enyl)pyridazine
SMILESCC(C)=CCCCCCc1ccnnc1C
InChIInChI=1S/C14H22N2/c1-12(2)8-6-4-5-7-9-14-10-11-15-16-13(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeyMMCAOVVUBNMPRS-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(7-methyloct-6-enyl)pyridazine?
The IUPAC name of 3-methyl-4-(7-methyloct-6-enyl)pyridazine (CID 166909771) is 3-methyl-4-(7-methyloct-6-enyl)pyridazine.
What is the SMILES notation for 3-methyl-4-(7-methyloct-6-enyl)pyridazine?
The canonical SMILES for 3-methyl-4-(7-methyloct-6-enyl)pyridazine is CC(C)=CCCCCCc1ccnnc1C.
What is the InChIKey of 3-methyl-4-(7-methyloct-6-enyl)pyridazine?
The InChIKey is MMCAOVVUBNMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(2)8-6-4-5-7-9-14-10-11-15-16-13(14)3/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 3-methyl-4-(7-methyloct-6-enyl)pyridazine?
3-methyl-4-(7-methyloct-6-enyl)pyridazine has a molecular weight of 218.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(7-methyloct-6-enyl)pyridazine is sourced from PubChem (CID 166909771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).