tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate

C15H27N3O2 — CID 114717278

IUPACtert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
SMILESCCC(CC)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-12(7-2)18-11-16-10-13(18)8-9-17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,19)
InChIKeyQMYABPHSYZWYSC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds6

About tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate

tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate (PubChem CID 114717278) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
PubChem CID114717278
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
SMILESCCC(CC)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-6-12(7-2)18-11-16-10-13(18)8-9-17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,19)
InChIKeyQMYABPHSYZWYSC-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
CID 104952089
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[[3-(4-methylhexan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114706289
tert-butyl N-[2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]ethyl]carbamate
CID 114722443
tert-butyl N-[2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114720434
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037
tert-butyl N-[[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114707619

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate (CID 114717278) is tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate is CCC(CC)n1cncc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate?
The InChIKey is QMYABPHSYZWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-12(7-2)18-11-16-10-13(18)8-9-17-14(19)20-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 114717278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).