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

C10H21N5O2 — CID 18432440

IUPACtert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CN=C(NN)N1
InChIInChI=1S/C10H21N5O2/c1-10(2,3)17-9(16)12-5-4-7-6-13-8(14-7)15-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyLSIXUPSUKOCORH-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.31
Rot. Bonds3

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

tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate (PubChem CID 18432440) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate
PubChem CID18432440
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Nametert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CN=C(NN)N1
InChIInChI=1S/C10H21N5O2/c1-10(2,3)17-9(16)12-5-4-7-6-13-8(14-7)15-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H2,13,14,15)
InChIKeyLSIXUPSUKOCORH-UHFFFAOYSA-N
XLogP-0.31
TPSA100.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-(aziridin-2-ylmethyl)carbamate
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ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate (CID 18432440) is tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CN=C(NN)N1.
What is the InChIKey of tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate?
The InChIKey is LSIXUPSUKOCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2/c1-10(2,3)17-9(16)12-5-4-7-6-13-8(14-7)15-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H2,13,14,15).
What are the key properties of tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydrazinyl-4,5-dihydro-1H-imidazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 18432440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).