tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate

C10H19N3O2 — CID 58381361

IUPACtert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1=NCCN1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-8-11-6-7-12-8/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJZSSQQFLTWLZEM-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.90
Rot. Bonds3

About tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate (PubChem CID 58381361) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate
PubChem CID58381361
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1=NCCN1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-8-11-6-7-12-8/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJZSSQQFLTWLZEM-UHFFFAOYSA-N
XLogP0.90
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl5-imino-1,4-diazepane-1-carboxylatehydrochloride
CID 22617732
tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]carbamate
CID 22594321
Tert-butyl 5-imino-1,4-diazepane-1-carboxylate
CID 22617733
tert-butyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
CID 45091956
tert-butyl N-(2-amino-2-methyliminoethyl)carbamate
CID 88939571
tert-butyl N-[2-[1-(cyanoamino)ethylideneamino]ethyl]carbamate
CID 117623855
tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate
CID 118689352
tert-butyl N-[3-[ethanimidoyl(propyl)amino]propyl]carbamate
CID 118689355
tert-butyl N-(2-amino-2-ethyliminoethyl)carbamate
CID 123354584

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate (CID 58381361) is tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1=NCCN1.
What is the InChIKey of tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate?
The InChIKey is JZSSQQFLTWLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-5-4-8-11-6-7-12-8/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 58381361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).