1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C17H25N3O — CID 79498565

IUPAC1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1ccc(N2C(N)=NCC23CCCC(C)CC3)cc1
InChIInChI=1S/C17H25N3O/c1-13-4-3-10-17(11-9-13)12-19-16(18)20(17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyQRNQPOIQDWPSFZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79498565) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79498565
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1ccc(N2C(N)=NCC23CCCC(C)CC3)cc1
InChIInChI=1S/C17H25N3O/c1-13-4-3-10-17(11-9-13)12-19-16(18)20(17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,19)
InChIKeyQRNQPOIQDWPSFZ-UHFFFAOYSA-N
XLogP3.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79502758
5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 79498361
1-(4-methoxyphenyl)-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79497681
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515126
8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504845
1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79521444
5-(4-methoxyphenyl)-2-propan-2-yl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565678
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
2-ethoxy-5-(4-methoxyphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824911
6-ethyl-1-(4-methoxyphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498559
5-cyclohexyl-1-(4-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79498731
1-(4-chlorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79521368

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79498565) is 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is COc1ccc(N2C(N)=NCC23CCCC(C)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is QRNQPOIQDWPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-4-3-10-17(11-9-13)12-19-16(18)20(17)14-5-7-15(21-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3,(H2,18,19).
What are the key properties of 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79498565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).