8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione

C15H23N5O2 — CID 82465215

IUPAC8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(CCN)n2C)n(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N5O2/c1-18-11(8-9-16)17-13-12(18)14(21)19(2)15(22)20(13)10-6-4-3-5-7-10/h10H,3-9,16H2,1-2H3
InChIKeyFGIYUIUPOGAEAG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.44
Rot. Bonds3

About 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione

8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione (PubChem CID 82465215) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
PubChem CID82465215
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(nc(CCN)n2C)n(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N5O2/c1-18-11(8-9-16)17-13-12(18)14(21)19(2)15(22)20(13)10-6-4-3-5-7-10/h10H,3-9,16H2,1-2H3
InChIKeyFGIYUIUPOGAEAG-UHFFFAOYSA-N
XLogP0.44
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione with MolForge

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Related Compounds

3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
8-(aminomethyl)-3-cyclohexyl-7-methylpurine-2,6-dione
CID 82464302
7-(1-aminopropan-2-yl)-3-cyclohexyl-1-methylpurine-2,6-dione
CID 82465577
8-(2-aminoethyl)-1,3-diethyl-7-methylpurine-2,6-dione
CID 82464444
3-(3-aminopropylamino)-8-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308962
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
CID 82465201
8-(2-aminoethyl)-3-cyclohexyl-1-ethyl-7H-purine-2,6-dione
CID 82465205
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
CID 82463842
8-(methoxymethyl)-3,7-dimethyl-1-piperidin-4-ylpurine-2,6-dione
CID 82466184
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
8-cyclopentyl-6-methyl-3-(2-piperidin-1-ylethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308040

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione (CID 82465215) is 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione is Cn1c(=O)c2c(nc(CCN)n2C)n(C2CCCCC2)c1=O.
What is the InChIKey of 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione?
The InChIKey is FGIYUIUPOGAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18-11(8-9-16)17-13-12(18)14(21)19(2)15(22)20(13)10-6-4-3-5-7-10/h10H,3-9,16H2,1-2H3.
What are the key properties of 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione?
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 82465215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).