5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C19H29N5O — CID 169378128

About 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169378128) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169378128
• Molecular Formula: C19H29N5O
• Molecular Weight: 343.48 g/mol
• Exact Mass: 343.24
• IUPAC Name: 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: COc1ccc(C(C)(C)C)cc1N1C(N)=NC(N)=NC12CCCCC2
• InChI: InChI=1S/C19H29N5O/c1-18(2,3)13-8-9-15(25-4)14(12-13)24-17(21)22-16(20)23-19(24)10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3,(H4,20,21,22,23)
• InChIKey: WRDBOIQYWPCHBG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 89.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169378128) is 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

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

The canonical SMILES for 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is COc1ccc(C(C)(C)C)cc1N1C(N)=NC(N)=NC12CCCCC2.

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

The InChIKey is WRDBOIQYWPCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-18(2,3)13-8-9-15(25-4)14(12-13)24-17(21)22-16(20)23-19(24)10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3,(H4,20,21,22,23).

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

5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 343.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-tert-butyl-2-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169378128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).