tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate

C14H24N4O2 — CID 80560625

IUPACtert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-12-8-11(9-12)16-5-7-18-6-4-15-10-18/h4,6,10-12,16H,5,7-9H2,1-3H3,(H,17,19)
InChIKeyVQNNUASWVRZCBQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.53
Rot. Bonds5

About tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate (PubChem CID 80560625) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
PubChem CID80560625
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-12-8-11(9-12)16-5-7-18-6-4-15-10-18/h4,6,10-12,16H,5,7-9H2,1-3H3,(H,17,19)
InChIKeyVQNNUASWVRZCBQ-UHFFFAOYSA-N
XLogP1.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,3R)-3-(imidazol-1-ylmethyl)cyclohexyl]carbamate
CID 141424903
tert-butyl 6-(2-imidazol-1-ylethylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 154766307
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
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tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
tert-butyl 4-[(2-imidazol-1-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730192
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
tert-butyl 4-(2-imidazol-1-ylethylamino)-3-propylpiperidine-1-carboxylate
CID 154766352
tert-butyl N-[3-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclobutyl]carbamate
CID 106309457

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate (CID 80560625) is tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCCn2ccnc2)C1.
What is the InChIKey of tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate?
The InChIKey is VQNNUASWVRZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-12-8-11(9-12)16-5-7-18-6-4-15-10-18/h4,6,10-12,16H,5,7-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80560625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).