tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H30N4O2 — CID 103398061

IUPACtert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)21-11-8-18-15(12-21)19-13-7-10-20-9-5-4-6-14(13)20/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyQBAWNZAJZQHYPQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398061) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398061
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCN3CCCCC23)C1
InChIInChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)21-11-8-18-15(12-21)19-13-7-10-20-9-5-4-6-14(13)20/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyQBAWNZAJZQHYPQ-UHFFFAOYSA-N
XLogP1.85
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[(4-methylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397895
tert-butyl 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrrolidine-1-carboxylate
CID 103820870
tert-butyl 6-[(1-oxothian-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398368
tert-butyl 6-[(1-methylpiperidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398075
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-[(2-methylcyclohexyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398067
tert-butyl 6-(2-cyclopentyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398163
tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398281
tert-butyl 6-[(3,3-dimethylcyclopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398424
tert-butyl 6-[(1,1-dioxothiolan-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398277
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398061) is tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCN3CCCCC23)C1.
What is the InChIKey of tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is QBAWNZAJZQHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-17(2,3)23-16(22)21-11-8-18-15(12-21)19-13-7-10-20-9-5-4-6-14(13)20/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).