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

C15H21N5O — CID 879096

IUPAC4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCOc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1
InChIInChI=1S/C15H21N5O/c1-21-12-7-5-11(6-8-12)17-14-18-13(16)19-15(20-14)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19,20)
InChIKeyBIMFDXJOQBGSRY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.04
Rot. Bonds2

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

4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (PubChem CID 879096) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
PubChem CID879096
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCOc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1
InChIInChI=1S/C15H21N5O/c1-21-12-7-5-11(6-8-12)17-14-18-13(16)19-15(20-14)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19,20)
InChIKeyBIMFDXJOQBGSRY-UHFFFAOYSA-N
XLogP2.04
TPSA84.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (CID 879096) is 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is COc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The InChIKey is BIMFDXJOQBGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-12-7-5-11(6-8-12)17-14-18-13(16)19-15(20-14)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is sourced from PubChem (CID 879096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).