8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

C16H23N3 — CID 80699619

IUPAC8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCC(C)(C)C3)cc1
InChIInChI=1S/C16H23N3/c1-12-4-6-13(7-5-12)19-14(17)18-11-16(19)9-8-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H2,17,18)
InChIKeyLIFMKPKJHJPREO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds1

About 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 80699619) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID80699619
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCC(C)(C)C3)cc1
InChIInChI=1S/C16H23N3/c1-12-4-6-13(7-5-12)19-14(17)18-11-16(19)9-8-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H2,17,18)
InChIKeyLIFMKPKJHJPREO-UHFFFAOYSA-N
XLogP3.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79504867
1-(4-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505097
1-(4-methylphenyl)-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79505471
8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79514529
5-methyl-1-(4-methylphenyl)-5-phenyl-4H-imidazol-2-amine
CID 79504873
5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79504950
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411
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
6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504948
1-(4-chlorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79521368

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 80699619) is 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is Cc1ccc(N2C(N)=NCC23CCC(C)(C)C3)cc1.
What is the InChIKey of 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is LIFMKPKJHJPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-4-6-13(7-5-12)19-14(17)18-11-16(19)9-8-15(2,3)10-16/h4-7H,8-11H2,1-3H3,(H2,17,18).
What are the key properties of 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 80699619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).