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

C22H35NO — CID 170287304

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

6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine (PubChem CID 170287304) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

• Compound Name: 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine
• PubChem CID: 170287304
• Molecular Formula: C22H35NO
• Molecular Weight: 329.53 g/mol
• Exact Mass: 329.27
• IUPAC Name: 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine
• SMILES: CC1=C(C)CC(CC2=C(C)CC(CC3=C(C)OCCC3)CN2)CC1
• InChI: InChI=1S/C22H35NO/c1-15-7-8-19(10-16(15)2)13-22-17(3)11-20(14-23-22)12-21-6-5-9-24-18(21)4/h19-20,23H,5-14H2,1-4H3
• InChIKey: KTSAVIVBIHEAMY-UHFFFAOYSA-N
• XLogP: 5.87
• 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	5.87
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 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine?

The IUPAC name of 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine (CID 170287304) is 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine.

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

The canonical SMILES for 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine is CC1=C(C)CC(CC2=C(C)CC(CC3=C(C)OCCC3)CN2)CC1.

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

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

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

6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 329.53 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 170287304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).