8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C15H22N4 — CID 79504867

IUPAC8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCN(C)CC3)cc1
InChIInChI=1S/C15H22N4/c1-12-3-5-13(6-4-12)19-14(16)17-11-15(19)7-9-18(2)10-8-15/h3-6H,7-11H2,1-2H3,(H2,16,17)
InChIKeyYSCRSIYLGGPNIN-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.59
Rot. Bonds1

About 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504867) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504867
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccc(N2C(N)=NCC23CCN(C)CC3)cc1
InChIInChI=1S/C15H22N4/c1-12-3-5-13(6-4-12)19-14(16)17-11-15(19)7-9-18(2)10-8-15/h3-6H,7-11H2,1-2H3,(H2,16,17)
InChIKeyYSCRSIYLGGPNIN-UHFFFAOYSA-N
XLogP1.59
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79504867) is 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is Cc1ccc(N2C(N)=NCC23CCN(C)CC3)cc1.
What is the InChIKey of 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is YSCRSIYLGGPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-3-5-13(6-4-12)19-14(16)17-11-15(19)7-9-18(2)10-8-15/h3-6H,7-11H2,1-2H3,(H2,16,17).
What are the key properties of 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 258.37 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).