tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate

C13H23N3O2 — CID 139556497

IUPACtert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate
SMILESCc1ncn(CCN(C)C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C13H23N3O2/c1-10-11(2)16(9-14-10)8-7-15(6)12(17)18-13(3,4)5/h9H,7-8H2,1-6H3
InChIKeyDSAUOQSCGLUKKV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate (PubChem CID 139556497) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate
PubChem CID139556497
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Nametert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate
SMILESCc1ncn(CCN(C)C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C13H23N3O2/c1-10-11(2)16(9-14-10)8-7-15(6)12(17)18-13(3,4)5/h9H,7-8H2,1-6H3
InChIKeyDSAUOQSCGLUKKV-UHFFFAOYSA-N
XLogP2.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-methyl-1h-imidazole-1-carboxylate
CID 21256699
Tert-butyl 4-ethylimidazole-1-carboxylate
CID 129214710
Tert-butyl 4-(trifluoromethyl)-1H-imidazole-1-carboxylate
CID 72218446
Tert-butyl 5-(difluoromethyl)-4-methylimidazole-1-carboxylate
CID 134531444
7-Boc-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 153621365
Tert-butyl 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperazine-1-carboxylate
CID 164881026
1-Ethyl-3,4,5-trimethylimidazol-3-ium;hydrogen carbonate
CID 139176858
1-(4,5-Dimethyl-1H-imidazol-1-yl)ethan-1-one
CID 12415055
N-[5-(4,5-dimethylimidazol-1-yl)pent-3-yn-2-yl]-N-methylacetamide
CID 19902294
4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide
CID 19964902
2-(4,5-dimethylimidazol-1-yl)-N,N-dipropylacetamide
CID 19964980
3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide
CID 19964982

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate (CID 139556497) is tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate is Cc1ncn(CCN(C)C(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate?
The InChIKey is DSAUOQSCGLUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-11(2)16(9-14-10)8-7-15(6)12(17)18-13(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate has a molecular weight of 253.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 139556497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).