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

C19H23N5O2 — CID 169376689

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

5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169376689) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169376689
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: NC1=NC2(CCCCC2)N(c2ccc(OCc3ccco3)cc2)C(N)=N1
• InChI: InChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)10-2-1-3-11-19)14-6-8-15(9-7-14)26-13-16-5-4-12-25-16/h4-9,12H,1-3,10-11,13H2,(H4,20,21,22,23)
• InChIKey: NXNXLYYCMKMVJW-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 102.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169376689) is 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

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

The canonical SMILES for 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccc(OCc3ccco3)cc2)C(N)=N1.

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

The InChIKey is NXNXLYYCMKMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)10-2-1-3-11-19)14-6-8-15(9-7-14)26-13-16-5-4-12-25-16/h4-9,12H,1-3,10-11,13H2,(H4,20,21,22,23).

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

5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169376689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).