methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate

C15H28N4O2 — CID 103544952

IUPACmethyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(CC(C)C)CN(C)C
InChIInChI=1S/C15H28N4O2/c1-7-12-17-13(15(20)21-6)14(16)19(12)11(8-10(2)3)9-18(4)5/h10-11H,7-9,16H2,1-6H3
InChIKeyRVTFHCRNKFVCSR-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.96
Rot. Bonds7

About methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate (PubChem CID 103544952) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate
PubChem CID103544952
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Namemethyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1C(CC(C)C)CN(C)C
InChIInChI=1S/C15H28N4O2/c1-7-12-17-13(15(20)21-6)14(16)19(12)11(8-10(2)3)9-18(4)5/h10-11H,7-9,16H2,1-6H3
InChIKeyRVTFHCRNKFVCSR-UHFFFAOYSA-N
XLogP1.96
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
CID 103545930
methyl 5-amino-2-ethyl-1-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545065
methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 5-amino-1-[1-(4-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103544994
methyl 5-amino-1-[1-(4-bromophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545043
methyl 5-amino-2-ethyl-1-[1-(oxolan-3-yl)ethyl]imidazole-4-carboxylate
CID 103546234
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
CID 82950242
methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545187
methyl 5-amino-1-[1-(3-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545026
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-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate (CID 103544952) is methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1C(CC(C)C)CN(C)C.
What is the InChIKey of methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate?
The InChIKey is RVTFHCRNKFVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-7-12-17-13(15(20)21-6)14(16)19(12)11(8-10(2)3)9-18(4)5/h10-11H,7-9,16H2,1-6H3.
What are the key properties of methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate has a molecular weight of 296.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103544952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).