(E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine

C27H37NO — CID 87851801

About (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine

(E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine (PubChem CID 87851801) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine.

Molecular Properties

• Compound Name: (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine
• PubChem CID: 87851801
• Molecular Formula: C27H37NO
• Molecular Weight: 391.60 g/mol
• Exact Mass: 391.29
• IUPAC Name: (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine
• SMILES: CCCCO/N=C(\c1ccc(C)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C27H37NO/c1-8-9-16-29-28-25(21-12-10-19(2)11-13-21)22-18-24-23(17-20(22)3)26(4,5)14-15-27(24,6)7/h10-13,17-18H,8-9,14-16H2,1-7H3/b28-25+
• InChIKey: QKUADRABDIHHLM-AZPGRJICSA-N
• XLogP: 7.22
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.60
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine?

The IUPAC name of (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine (CID 87851801) is (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine.

What is the SMILES notation for (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine?

The canonical SMILES for (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine is CCCCO/N=C(\c1ccc(C)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.

What is the InChIKey of (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine?

The InChIKey is QKUADRABDIHHLM-AZPGRJICSA-N. The full InChI is InChI=1S/C27H37NO/c1-8-9-16-29-28-25(21-12-10-19(2)11-13-21)22-18-24-23(17-20(22)3)26(4,5)14-15-27(24,6)7/h10-13,17-18H,8-9,14-16H2,1-7H3/b28-25+.

What are the key properties of (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine?

(E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine has a molecular weight of 391.60 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-butoxy-1-(4-methylphenyl)-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanimine is sourced from PubChem (CID 87851801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).