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

C14H25N3O2 — CID 67744261

IUPACtert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate
SMILESCCCCC1(C(C)NC(=O)OC(C)(C)C)N=CC=N1
InChIInChI=1S/C14H25N3O2/c1-6-7-8-14(15-9-10-16-14)11(2)17-12(18)19-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyHXGNACBODJKHMH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.94
Rot. Bonds5

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

tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate (PubChem CID 67744261) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate
PubChem CID67744261
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate
SMILESCCCCC1(C(C)NC(=O)OC(C)(C)C)N=CC=N1
InChIInChI=1S/C14H25N3O2/c1-6-7-8-14(15-9-10-16-14)11(2)17-12(18)19-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,18)
InChIKeyHXGNACBODJKHMH-UHFFFAOYSA-N
XLogP2.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate (CID 67744261) is tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate is CCCCC1(C(C)NC(=O)OC(C)(C)C)N=CC=N1.
What is the InChIKey of tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate?
The InChIKey is HXGNACBODJKHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-7-8-14(15-9-10-16-14)11(2)17-12(18)19-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate?
tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-butylimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 67744261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).