tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate

C12H21N3O2 — CID 22915182

IUPACtert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)c1ncc[nH]1
InChIInChI=1S/C12H21N3O2/c1-8(2)9(10-13-6-7-14-10)15-11(16)17-12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16)
InChIKeyJBXDMAZUZGPYFJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate

tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate (PubChem CID 22915182) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate
PubChem CID22915182
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)c1ncc[nH]1
InChIInChI=1S/C12H21N3O2/c1-8(2)9(10-13-6-7-14-10)15-11(16)17-12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16)
InChIKeyJBXDMAZUZGPYFJ-UHFFFAOYSA-N
XLogP2.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-(2-methylimidazol-1-yl)ethyl]carbamate
CID 75446422
tert-butyl 3-(1-methyl-1H-imidazol-2-yl)piperazine-1-carboxylate
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tert-butyl 3-(1H-imidazol-2-yl)piperazine-1-carboxylate
CID 102707022
tert-butyl N-[2-amino-1-(1-methyl-1H-imidazol-2-yl)ethyl]carbamate
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tert-butyl 4-(2-aminoethyl)-3-(1-methyl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 137944657
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CID 49783269

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate (CID 22915182) is tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)c1ncc[nH]1.
What is the InChIKey of tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate?
The InChIKey is JBXDMAZUZGPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)9(10-13-6-7-14-10)15-11(16)17-12(3,4)5/h6-9H,1-5H3,(H,13,14)(H,15,16).
What are the key properties of tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate?
tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate has a molecular weight of 239.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-imidazol-2-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 22915182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).