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

C14H27N3O3 — CID 103398076

IUPACtert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-9-8-16-12(11-17)15-7-5-6-10-19-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyCCDHOOZHSBHKBG-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.65
Rot. Bonds5

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

tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398076) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398076
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-9-8-16-12(11-17)15-7-5-6-10-19-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyCCDHOOZHSBHKBG-UHFFFAOYSA-N
XLogP1.65
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.65
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-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398076) is tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is COCCCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is CCDHOOZHSBHKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)17-9-8-16-12(11-17)15-7-5-6-10-19-4/h5-11H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).