6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H25N3 — CID 79504948

IUPAC6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCC(C)CC3C)cc1
InChIInChI=1S/C17H25N3/c1-12-4-6-15(7-5-12)20-16(18)19-11-17(20)9-8-13(2)10-14(17)3/h4-7,13-14H,8-11H2,1-3H3,(H2,18,19)
InChIKeyTZCMZJDNMPIHAB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.32
Rot. Bonds1

About 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504948) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504948
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCC(C)CC3C)cc1
InChIInChI=1S/C17H25N3/c1-12-4-6-15(7-5-12)20-16(18)19-11-17(20)9-8-13(2)10-14(17)3/h4-7,13-14H,8-11H2,1-3H3,(H2,18,19)
InChIKeyTZCMZJDNMPIHAB-UHFFFAOYSA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505809
1-(2-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504751
1-(4-chlorophenyl)-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520932
6-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514905
1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504947
1-(4-fluorophenyl)-6,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505590
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515126
8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79504867
5-methyl-1-(4-methylphenyl)-5-phenyl-4H-imidazol-2-amine
CID 79504873
1-(4-bromophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502282
8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 80699619
5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79504950

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504948) is 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1ccc(N2C(N)=NCC23CCC(C)CC3C)cc1.
What is the InChIKey of 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is TZCMZJDNMPIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-4-6-15(7-5-12)20-16(18)19-11-17(20)9-8-13(2)10-14(17)3/h4-7,13-14H,8-11H2,1-3H3,(H2,18,19).
What are the key properties of 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).