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

C17H25N3O — CID 79502758

IUPAC1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-17(10-8-13)12-19-16(18)20(17)14-6-3-7-15(11-14)21-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H2,18,19)
InChIKeyIPCGYOSJJODLNT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds2

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

1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79502758) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79502758
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1
InChIInChI=1S/C17H25N3O/c1-13-5-4-9-17(10-8-13)12-19-16(18)20(17)14-6-3-7-15(11-14)21-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H2,18,19)
InChIKeyIPCGYOSJJODLNT-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-(4-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79498565
8-methyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504845
1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514492
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515126
1-(3-methoxyphenyl)-7,8-dimethyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 81468581
1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505673
8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79500137
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79514881
1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79510132
5-(2-methoxyethyl)-1-(3-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79514113
1-(3-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504905
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79502758) is 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is COc1cccc(N2C(N)=NCC23CCCC(C)CC3)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is IPCGYOSJJODLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-5-4-9-17(10-8-13)12-19-16(18)20(17)14-6-3-7-15(11-14)21-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H2,18,19).
What are the key properties of 1-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-(3-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-(3-methoxyphenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79502758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).