2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

C33H41NO2S2 — CID 162023104

About 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine

2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (PubChem CID 162023104) has the molecular formula C33H41NO2S2 and a molecular weight of 547.83 g/mol. Its IUPAC name is 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

• Compound Name: 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
• PubChem CID: 162023104
• Molecular Formula: C33H41NO2S2
• Molecular Weight: 547.83 g/mol
• Exact Mass: 547.26
• IUPAC Name: 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine
• SMILES: CC(C)CCC(COc1cccc2ccccc12)SSC(CNC(C)C)COc1cccc2ccccc12
• InChI: InChI=1S/C33H41NO2S2/c1-24(2)19-20-28(22-35-32-17-9-13-26-11-5-7-15-30(26)32)37-38-29(21-34-25(3)4)23-36-33-18-10-14-27-12-6-8-16-31(27)33/h5-18,24-25,28-29,34H,19-23H2,1-4H3
• InChIKey: YUZVBIWLDYXGJA-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.83
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?

The IUPAC name of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine (CID 162023104) is 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine.

What is the SMILES notation for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?

The canonical SMILES for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is CC(C)CCC(COc1cccc2ccccc12)SSC(CNC(C)C)COc1cccc2ccccc12.

What is the InChIKey of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?

The InChIKey is YUZVBIWLDYXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41NO2S2/c1-24(2)19-20-28(22-35-32-17-9-13-26-11-5-7-15-30(26)32)37-38-29(21-34-25(3)4)23-36-33-18-10-14-27-12-6-8-16-31(27)33/h5-18,24-25,28-29,34H,19-23H2,1-4H3.

What are the key properties of 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine?

2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine has a molecular weight of 547.83 g/mol, XLogP of 9.00, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1-naphthalen-1-yloxyhexan-2-yl)disulfanyl]-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 162023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).