methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate

C15H23N3O2 — CID 107853736

IUPACmethyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCC1=CCCCC1
InChIInChI=1S/C15H23N3O2/c1-3-12-17-13(15(19)20-2)14(16)18(12)10-9-11-7-5-4-6-8-11/h7H,3-6,8-10,16H2,1-2H3
InChIKeyDYLJMRPGAPBZED-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.70
Rot. Bonds5

About methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate (PubChem CID 107853736) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
PubChem CID107853736
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CCC1=CCCCC1
InChIInChI=1S/C15H23N3O2/c1-3-12-17-13(15(19)20-2)14(16)18(12)10-9-11-7-5-4-6-8-11/h7H,3-6,8-10,16H2,1-2H3
InChIKeyDYLJMRPGAPBZED-UHFFFAOYSA-N
XLogP2.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987495
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
CID 107420468
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
CID 65232235
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-[(4-methylmorpholin-2-yl)methyl]imidazole-4-carboxylate
CID 103545735
methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126068347

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate (CID 107853736) is methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CCC1=CCCCC1.
What is the InChIKey of methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate?
The InChIKey is DYLJMRPGAPBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-17-13(15(19)20-2)14(16)18(12)10-9-11-7-5-4-6-8-11/h7H,3-6,8-10,16H2,1-2H3.
What are the key properties of methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 107853736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).