ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate

C12H22N4O2 — CID 82950242

IUPACethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C(C)CN(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-6-18-12(17)10-11(13)16(9(3)14-10)8(2)7-15(4)5/h8H,6-7,13H2,1-5H3
InChIKeyNIQWLGACYREJME-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.07
Rot. Bonds5

About ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate

ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate (PubChem CID 82950242) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
PubChem CID82950242
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Nameethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)n(C(C)CN(C)C)c1N
InChIInChI=1S/C12H22N4O2/c1-6-18-12(17)10-11(13)16(9(3)14-10)8(2)7-15(4)5/h8H,6-7,13H2,1-5H3
InChIKeyNIQWLGACYREJME-UHFFFAOYSA-N
XLogP1.07
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate (CID 82950242) is ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate is CCOC(=O)c1nc(C)n(C(C)CN(C)C)c1N.
What is the InChIKey of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The InChIKey is NIQWLGACYREJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-18-12(17)10-11(13)16(9(3)14-10)8(2)7-15(4)5/h8H,6-7,13H2,1-5H3.
What are the key properties of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 82950242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).