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

C19H23N5O2 — CID 169374897

IUPAC5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2OCc2ccco2)C(N)=N1
InChIInChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)10-4-1-5-11-19)15-8-2-3-9-16(15)26-13-14-7-6-12-25-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H4,20,21,22,23)
InChIKeyQUHOEFVZRSRQDQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.97
Rot. Bonds4

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

5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374897) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169374897
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccccc2OCc2ccco2)C(N)=N1
InChIInChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)10-4-1-5-11-19)15-8-2-3-9-16(15)26-13-14-7-6-12-25-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H4,20,21,22,23)
InChIKeyQUHOEFVZRSRQDQ-UHFFFAOYSA-N
XLogP2.97
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374897) is 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccccc2OCc2ccco2)C(N)=N1.
What is the InChIKey of 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is QUHOEFVZRSRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)10-4-1-5-11-19)15-8-2-3-9-16(15)26-13-14-7-6-12-25-14/h2-3,6-9,12H,1,4-5,10-11,13H2,(H4,20,21,22,23).
What are the key properties of 5-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(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-[2-(furan-2-ylmethoxy)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).