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

C13H24N4O3 — CID 103397934

IUPACtert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-10(18)14-5-6-15-11-9-17(8-7-16-11)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyAEVSYKDOSVZJGA-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.36
Rot. Bonds3

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

tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397934) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397934
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Nametert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N4O3/c1-10(18)14-5-6-15-11-9-17(8-7-16-11)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyAEVSYKDOSVZJGA-UHFFFAOYSA-N
XLogP0.36
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 19049020
tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(4,4,4-trifluorobutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398290
tert-butyl 6-(2,2,3,3-tetrafluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106293719
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
2,2-Dimethyl-10-imino-3-oxa-5,8,11,14-tetraazatetradecane-4,7,13-trione
CID 533649
Tert-butyl 5-amino-3,6-dihydropyrazine-1(2h)-carboxylate
CID 19049021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397934) is tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(=O)NCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is AEVSYKDOSVZJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(18)14-5-6-15-11-9-17(8-7-16-11)12(19)20-13(2,3)4/h5-9H2,1-4H3,(H,14,18)(H,15,16).
What are the key properties of tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-acetamidoethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).