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

C16H31N3O2 — CID 103398170

IUPACtert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CCC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)7-8-13(3)18-14-11-19(10-9-17-14)15(20)21-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyJOEFQXLCEVFRGP-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.05
Rot. Bonds4

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

tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398170) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398170
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)CCC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)7-8-13(3)18-14-11-19(10-9-17-14)15(20)21-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyJOEFQXLCEVFRGP-UHFFFAOYSA-N
XLogP3.05
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398170) is tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)CCC(C)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is JOEFQXLCEVFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)7-8-13(3)18-14-11-19(10-9-17-14)15(20)21-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(5-methylhexan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).