2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine

C9H15N — CID 91217292

IUPAC2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine
SMILESC=C1CC(C)=NC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7-5-8(2)10-9(3,4)6-7/h1,5-6H2,2-4H3
InChIKeyPJNKUGABPFCIAK-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds

About 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine

2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine (PubChem CID 91217292) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine
PubChem CID91217292
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine
SMILESC=C1CC(C)=NC(C)(C)C1
InChIInChI=1S/C9H15N/c1-7-5-8(2)10-9(3,4)6-7/h1,5-6H2,2-4H3
InChIKeyPJNKUGABPFCIAK-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine?
The IUPAC name of 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine (CID 91217292) is 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine.
What is the SMILES notation for 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine?
The canonical SMILES for 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine is C=C1CC(C)=NC(C)(C)C1.
What is the InChIKey of 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine?
The InChIKey is PJNKUGABPFCIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-8(2)10-9(3,4)6-7/h1,5-6H2,2-4H3.
What are the key properties of 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine?
2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-methylidene-3,5-dihydropyridine is sourced from PubChem (CID 91217292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).