tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H31N3O3 — CID 103398164

IUPACtert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOC2CCCCC2)C1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,18,19)
InChIKeyVBMNZDTUUYBYFC-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398164) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398164
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Nametert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOC2CCCCC2)C1
InChIInChI=1S/C17H31N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,18,19)
InChIKeyVBMNZDTUUYBYFC-UHFFFAOYSA-N
XLogP2.57
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398164) is tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCOC2CCCCC2)C1.
What is the InChIKey of tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VBMNZDTUUYBYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).