tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H27N3O4 — CID 103398081

IUPACtert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCOCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(18)17-7-5-15-12(11-17)16-6-8-20-10-9-19-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyIJVNUPFHZRFFGF-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.89
Rot. Bonds6

About tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398081) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398081
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nametert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCOCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O4/c1-14(2,3)21-13(18)17-7-5-15-12(11-17)16-6-8-20-10-9-19-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyIJVNUPFHZRFFGF-UHFFFAOYSA-N
XLogP0.89
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398081) is tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is COCCOCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IJVNUPFHZRFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,3)21-13(18)17-7-5-15-12(11-17)16-6-8-20-10-9-19-4/h5-11H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).