(6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine

C26H48N2 — CID 130305451

About (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine

(6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine (PubChem CID 130305451) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine.

Molecular Properties

• Compound Name: (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine
• PubChem CID: 130305451
• Molecular Formula: C26H48N2
• Molecular Weight: 388.68 g/mol
• Exact Mass: 388.38
• IUPAC Name: (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine
• SMILES: CC(C)/C1=C/CCN(C(C)CCC(C)C2/C=C\CN(C(C)C)CCC2)CCC1
• InChI: InChI=1S/C26H48N2/c1-21(2)25-11-7-19-28(20-8-12-25)24(6)16-15-23(5)26-13-9-17-27(22(3)4)18-10-14-26/h9,11,13,21-24,26H,7-8,10,12,14-20H2,1-6H3/b13-9-,25-11+
• InChIKey: UOWQYWSCFHDCOS-YRUJABTLSA-N
• XLogP: 6.54
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.68
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
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 (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine?

The IUPAC name of (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine (CID 130305451) is (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine.

What is the SMILES notation for (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine?

The canonical SMILES for (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine is CC(C)/C1=C/CCN(C(C)CCC(C)C2/C=C\CN(C(C)C)CCC2)CCC1.

What is the InChIKey of (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine?

The InChIKey is UOWQYWSCFHDCOS-YRUJABTLSA-N. The full InChI is InChI=1S/C26H48N2/c1-21(2)25-11-7-19-28(20-8-12-25)24(6)16-15-23(5)26-13-9-17-27(22(3)4)18-10-14-26/h9,11,13,21-24,26H,7-8,10,12,14-20H2,1-6H3/b13-9-,25-11+.

What are the key properties of (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine?

(6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine has a molecular weight of 388.68 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-1-propan-2-yl-5-[5-[(5E)-5-propan-2-yl-3,4,7,8-tetrahydro-2H-azocin-1-yl]hexan-2-yl]-3,4,5,8-tetrahydro-2H-azocine is sourced from PubChem (CID 130305451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).