5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

C13H17N3O — CID 79498361

IUPAC5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOc1ccc(N2C(N)=NCC23CCC3)cc1
InChIInChI=1S/C13H17N3O/c1-17-11-5-3-10(4-6-11)16-12(14)15-9-13(16)7-2-8-13/h3-6H,2,7-9H2,1H3,(H2,14,15)
InChIKeyNVELYWRJAGXGTQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds2

About 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 79498361) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID79498361
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOc1ccc(N2C(N)=NCC23CCC3)cc1
InChIInChI=1S/C13H17N3O/c1-17-11-5-3-10(4-6-11)16-12(14)15-9-13(16)7-2-8-13/h3-6H,2,7-9H2,1H3,(H2,14,15)
InChIKeyNVELYWRJAGXGTQ-UHFFFAOYSA-N
XLogP1.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
1-(4-Ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 6603416
1-(4-Methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 9551963
(4Z)-1-(4-methoxyphenyl)-4-(phenylimino)-1,3-diazaspiro[4.5]decane-2-thione
CID 1514935
1,3,5-Triazine-2,4-diamine, 1-(4-ethoxyphenyl)-1,6-dihydro-6,6-dimethyl-
CID 409219
N-(4-methoxyphenyl)imidazolidin-2-imine
CID 411679
N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 879096
1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine
CID 11403716
N-(4-phenoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 13514963
1,3,5-Triazine-2,4-diamine, 1-(4-butoxyphenyl)-1,6-dihydro-6,6-dimethyl-, hydrochloride
CID 153377
1-(4-Butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 153378
10-(4-Methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine
CID 3241249

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 79498361) is 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is COc1ccc(N2C(N)=NCC23CCC3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is NVELYWRJAGXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-11-5-3-10(4-6-11)16-12(14)15-9-13(16)7-2-8-13/h3-6H,2,7-9H2,1H3,(H2,14,15).
What are the key properties of 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 231.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 79498361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).