9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

C15H21N5O2 — CID 752561

IUPAC9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCOc1ccc(OC)c(NC2=NC3(CCCC3)N=C(N)N2)c1
InChIInChI=1S/C15H21N5O2/c1-21-10-5-6-12(22-2)11(9-10)17-14-18-13(16)19-15(20-14)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyQJFRTGCPUWMXRD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.66
Rot. Bonds3

About 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine

9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (PubChem CID 752561) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.

Molecular Properties

Compound Name9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
PubChem CID752561
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILESCOc1ccc(OC)c(NC2=NC3(CCCC3)N=C(N)N2)c1
InChIInChI=1S/C15H21N5O2/c1-21-10-5-6-12(22-2)11(9-10)17-14-18-13(16)19-15(20-14)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyQJFRTGCPUWMXRD-UHFFFAOYSA-N
XLogP1.66
TPSA93.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The IUPAC name of 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine (CID 752561) is 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine.
What is the SMILES notation for 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The canonical SMILES for 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is COc1ccc(OC)c(NC2=NC3(CCCC3)N=C(N)N2)c1.
What is the InChIKey of 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
The InChIKey is QJFRTGCPUWMXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-21-10-5-6-12(22-2)11(9-10)17-14-18-13(16)19-15(20-14)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine?
9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine has a molecular weight of 303.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(2,5-dimethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine is sourced from PubChem (CID 752561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).