methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate

C15H25N3O2 — CID 79571778

IUPACmethyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCn1cnc(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-12(2)18(10-17-11)9-7-13-6-5-8-15(13,16-3)14(19)20-4/h10,13,16H,5-9H2,1-4H3
InChIKeyZMMKYKPQVSEUJG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate

methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79571778) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79571778
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC1CCn1cnc(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-12(2)18(10-17-11)9-7-13-6-5-8-15(13,16-3)14(19)20-4/h10,13,16H,5-9H2,1-4H3
InChIKeyZMMKYKPQVSEUJG-UHFFFAOYSA-N
XLogP1.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate (CID 79571778) is methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCCC1CCn1cnc(C)c1C.
What is the InChIKey of methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is ZMMKYKPQVSEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-12(2)18(10-17-11)9-7-13-6-5-8-15(13,16-3)14(19)20-4/h10,13,16H,5-9H2,1-4H3.
What are the key properties of methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79571778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).