6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol

C25H29N5O — CID 135997793

About 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol

6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol (PubChem CID 135997793) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol.

Molecular Properties

• Compound Name: 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol
• PubChem CID: 135997793
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol
• SMILES: CCN(C)c1ccc2c(O)c(/N=N/c3ccc(/N=N/C)c4c3CCCC4)c(C)cc2c1
• InChI: InChI=1S/C25H29N5O/c1-5-30(4)18-10-11-19-17(15-18)14-16(2)24(25(19)31)29-28-23-13-12-22(27-26-3)20-8-6-7-9-21(20)23/h10-15,31H,5-9H2,1-4H3/b27-26+,29-28+
• InChIKey: KMEKOOOWALURMF-ZDXBJJIESA-N
• XLogP: 7.32
• TPSA: 72.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol?

The IUPAC name of 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol (CID 135997793) is 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol.

What is the SMILES notation for 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol?

The canonical SMILES for 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol is CCN(C)c1ccc2c(O)c(/N=N/c3ccc(/N=N/C)c4c3CCCC4)c(C)cc2c1.

What is the InChIKey of 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol?

The InChIKey is KMEKOOOWALURMF-ZDXBJJIESA-N. The full InChI is InChI=1S/C25H29N5O/c1-5-30(4)18-10-11-19-17(15-18)14-16(2)24(25(19)31)29-28-23-13-12-22(27-26-3)20-8-6-7-9-21(20)23/h10-15,31H,5-9H2,1-4H3/b27-26+,29-28+.

What are the key properties of 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol?

6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol has a molecular weight of 415.54 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[ethyl(methyl)amino]-3-methyl-2-[[4-(methyldiazenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]diazenyl]naphthalen-1-ol is sourced from PubChem (CID 135997793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).