5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C21H25N5 — CID 169375974

About 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375974) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169375974
• Molecular Formula: C21H25N5
• Molecular Weight: 347.47 g/mol
• Exact Mass: 347.21
• IUPAC Name: 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: Cc1ccc(-c2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc2)cc1
• InChI: InChI=1S/C21H25N5/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)26-20(23)24-19(22)25-21(26)13-3-2-4-14-21/h5-12H,2-4,13-14H2,1H3,(H4,22,23,24,25)
• InChIKey: JOJUAZBDWHRSGN-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 80.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The IUPAC name of 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375974) is 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

What is the SMILES notation for 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The canonical SMILES for 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1ccc(-c2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc2)cc1.

What is the InChIKey of 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The InChIKey is JOJUAZBDWHRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)26-20(23)24-19(22)25-21(26)13-3-2-4-14-21/h5-12H,2-4,13-14H2,1H3,(H4,22,23,24,25).

What are the key properties of 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).