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

C17H25N5 — CID 169378039

IUPAC5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCC(C)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H25N5/c1-12(2)13-8-4-5-9-14(13)22-16(19)20-15(18)21-17(22)10-6-3-7-11-17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,18,19,20,21)
InChIKeySECAUKJMEDCUQF-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.92
Rot. Bonds2

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

5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169378039) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169378039
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCC(C)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2
InChIInChI=1S/C17H25N5/c1-12(2)13-8-4-5-9-14(13)22-16(19)20-15(18)21-17(22)10-6-3-7-11-17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,18,19,20,21)
InChIKeySECAUKJMEDCUQF-UHFFFAOYSA-N
XLogP2.92
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169378039) is 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CC(C)c1ccccc1N1C(N)=NC(N)=NC12CCCCC2.
What is the InChIKey of 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is SECAUKJMEDCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12(2)13-8-4-5-9-14(13)22-16(19)20-15(18)21-17(22)10-6-3-7-11-17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169378039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).