5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine

C13H16BrN3O — CID 106824938

IUPAC5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOC1CC2(CN=C(N)N2c2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrN3O/c1-18-11-6-13(7-11)8-16-12(15)17(13)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H2,15,16)
InChIKeyYKLFXXBGFBYPEC-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.13
Rot. Bonds2

About 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine

5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine (PubChem CID 106824938) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine
PubChem CID106824938
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine
SMILESCOC1CC2(CN=C(N)N2c2ccc(Br)cc2)C1
InChIInChI=1S/C13H16BrN3O/c1-18-11-6-13(7-11)8-16-12(15)17(13)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H2,15,16)
InChIKeyYKLFXXBGFBYPEC-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824911
1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501399
5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565678
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine
CID 79514852
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79498361
1-(4-bromophenyl)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502298
1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine
CID 80560168
1-(4-bromophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502282
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
1-(4-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521021
1-(4-chlorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502357

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The IUPAC name of 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine (CID 106824938) is 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine.
What is the SMILES notation for 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The canonical SMILES for 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine is COC1CC2(CN=C(N)N2c2ccc(Br)cc2)C1.
What is the InChIKey of 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine?
The InChIKey is YKLFXXBGFBYPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-18-11-6-13(7-11)8-16-12(15)17(13)10-4-2-9(14)3-5-10/h2-5,11H,6-8H2,1H3,(H2,15,16).
What are the key properties of 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine?
5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine has a molecular weight of 310.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine is sourced from PubChem (CID 106824938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).