5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine

C22H35NO — CID 170284298

About 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine

5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine (PubChem CID 170284298) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

• Compound Name: 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine
• PubChem CID: 170284298
• Molecular Formula: C22H35NO
• Molecular Weight: 329.53 g/mol
• Exact Mass: 329.27
• IUPAC Name: 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine
• SMILES: CC1=C(C)CC(CC2=C(C)NC(CC3=C(C)CCCO3)CC2)CC1
• InChI: InChI=1S/C22H35NO/c1-15-7-8-19(12-17(15)3)13-20-9-10-21(23-18(20)4)14-22-16(2)6-5-11-24-22/h19,21,23H,5-14H2,1-4H3
• InChIKey: DRDCYKVPOUYSRE-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	329.53
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine?

The IUPAC name of 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine (CID 170284298) is 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine.

What is the SMILES notation for 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine?

The canonical SMILES for 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine is CC1=C(C)CC(CC2=C(C)NC(CC3=C(C)CCCO3)CC2)CC1.

What is the InChIKey of 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine?

The InChIKey is DRDCYKVPOUYSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-15-7-8-19(12-17(15)3)13-20-9-10-21(23-18(20)4)14-22-16(2)6-5-11-24-22/h19,21,23H,5-14H2,1-4H3.

What are the key properties of 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine?

5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 329.53 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-6-methyl-2-[(5-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 170284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).