3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine

C14H20N2 — CID 123992243

IUPAC3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine
SMILESCC#CC(=CC(C)CC)N1N=CC=CC1C
InChIInChI=1S/C14H20N2/c1-5-8-14(11-12(3)6-2)16-13(4)9-7-10-15-16/h7,9-13H,6H2,1-4H3
InChIKeyBNBIQONSXYWHGQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.19
Rot. Bonds3

About 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine

3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine (PubChem CID 123992243) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine.

Molecular Properties

Compound Name3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine
PubChem CID123992243
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine
SMILESCC#CC(=CC(C)CC)N1N=CC=CC1C
InChIInChI=1S/C14H20N2/c1-5-8-14(11-12(3)6-2)16-13(4)9-7-10-15-16/h7,9-13H,6H2,1-4H3
InChIKeyBNBIQONSXYWHGQ-UHFFFAOYSA-N
XLogP3.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Methylhept-3-en-3-yl)-6-methylidenepyridazine
CID 123569581
1-(5-Methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
CID 123896861
ethane;(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
CID 144580069
1-[(Z)-5-methylhex-3-en-1-yn-3-yl]-6-methylidenepyridazine
CID 145668185
2-ethyl-3-propan-2-yl-3H-pyridazine
CID 168925809
2-methyl-3-propan-2-yl-3H-pyridazine
CID 169884494
(6Z)-6-butylidene-1-(3-methylbut-1-en-2-yl)pyridazine
CID 170179500
2-[(E)-pent-2-en-2-yl]-3H-pyridazine
CID 144164492
(Z,Z)-N-[(6E)-6-(2-methylpropylidene)-2,3-dihydropyridin-1-yl]but-2-en-1-imine
CID 144580070
2-Cyclohexa-1,5-dien-1-yl-3,4-dimethyl-3,4-dihydropyrazole
CID 164085078

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine?
The IUPAC name of 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine (CID 123992243) is 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine.
What is the SMILES notation for 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine?
The canonical SMILES for 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine is CC#CC(=CC(C)CC)N1N=CC=CC1C.
What is the InChIKey of 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine?
The InChIKey is BNBIQONSXYWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-8-14(11-12(3)6-2)16-13(4)9-7-10-15-16/h7,9-13H,6H2,1-4H3.
What are the key properties of 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine?
3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine has a molecular weight of 216.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-methyloct-4-en-2-yn-4-yl)-3H-pyridazine is sourced from PubChem (CID 123992243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).