tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate

C11H19N3O2 — CID 75446422

IUPACtert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
SMILESCc1nccn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-9-12-5-7-14(9)8-6-13-10(15)16-11(2,3)4/h5,7H,6,8H2,1-4H3,(H,13,15)
InChIKeyOINZZKKDUKHODC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate (PubChem CID 75446422) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
PubChem CID75446422
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
SMILESCc1nccn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-9-12-5-7-14(9)8-6-13-10(15)16-11(2,3)4/h5,7H,6,8H2,1-4H3,(H,13,15)
InChIKeyOINZZKKDUKHODC-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate (CID 75446422) is tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate is Cc1nccn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
The InChIKey is OINZZKKDUKHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-12-5-7-14(9)8-6-13-10(15)16-11(2,3)4/h5,7H,6,8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 75446422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).