methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate

C14H23N3O2 — CID 103545632

IUPACmethyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C2CCC(C)C(C)C2)c1N
InChIInChI=1S/C14H23N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h8-9,11H,5-7,15H2,1-4H3
InChIKeySLROUFHVNMRAJO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.56
Rot. Bonds2

About methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate

methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate (PubChem CID 103545632) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
PubChem CID103545632
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C2CCC(C)C(C)C2)c1N
InChIInChI=1S/C14H23N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h8-9,11H,5-7,15H2,1-4H3
InChIKeySLROUFHVNMRAJO-UHFFFAOYSA-N
XLogP2.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-methyl-1-(3-methylcyclopentyl)imidazole-4-carboxylate
CID 103546279
methyl 5-amino-1-(2,2-dimethylcyclopentyl)-2-methylimidazole-4-carboxylate
CID 103545771
ethyl 5-amino-2-methyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669405
methyl 5-amino-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-ethylimidazole-4-carboxylate
CID 103545863
methyl 5-amino-2-methyl-1-piperidin-1-ylimidazole-4-carboxylate
CID 103545937
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
1-(3,4-dimethylcyclohexyl)-5-methyltriazole-4-carboxylic acid
CID 64739872
methyl 5-amino-1-(3-methylcyclobutyl)imidazole-4-carboxylate
CID 103546117
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate (CID 103545632) is methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(C2CCC(C)C(C)C2)c1N.
What is the InChIKey of methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate?
The InChIKey is SLROUFHVNMRAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8-5-6-11(7-9(8)2)17-10(3)16-12(13(17)15)14(18)19-4/h8-9,11H,5-7,15H2,1-4H3.
What are the key properties of methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(3,4-dimethylcyclohexyl)-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103545632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).