2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

C29H30N4O2 — CID 163893757

About 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine

2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (PubChem CID 163893757) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.

Molecular Properties

• Compound Name: 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
• PubChem CID: 163893757
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
• SMILES: C=NCc1cccc(-c2ccc3c(c2)C2(CC(C4CCCc5ccccc54)O3)N=C(N)N(C)O2)c1
• InChI: InChI=1S/C29H30N4O2/c1-31-18-19-7-5-10-21(15-19)22-13-14-26-25(16-22)29(32-28(30)33(2)35-29)17-27(34-26)24-12-6-9-20-8-3-4-11-23(20)24/h3-5,7-8,10-11,13-16,24,27H,1,6,9,12,17-18H2,2H3,(H2,30,32)
• InChIKey: QDUNNSFWTOJHSH-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 72.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?

The IUPAC name of 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine (CID 163893757) is 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine.

What is the SMILES notation for 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?

The canonical SMILES for 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is C=NCc1cccc(-c2ccc3c(c2)C2(CC(C4CCCc5ccccc54)O3)N=C(N)N(C)O2)c1.

What is the InChIKey of 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?

The InChIKey is QDUNNSFWTOJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-31-18-19-7-5-10-21(15-19)22-13-14-26-25(16-22)29(32-28(30)33(2)35-29)17-27(34-26)24-12-6-9-20-8-3-4-11-23(20)24/h3-5,7-8,10-11,13-16,24,27H,1,6,9,12,17-18H2,2H3,(H2,30,32).

What are the key properties of 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine?

2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine has a molecular weight of 466.59 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6'-[3-[(methylideneamino)methyl]phenyl]-2'-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine is sourced from PubChem (CID 163893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).