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

C17H32N4O2 — CID 103398153

IUPACtert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCC1
InChIInChI=1S/C17H32N4O2/c1-17(2,3)23-16(22)21-12-10-19-15(13-21)18-9-11-20(4)14-7-5-6-8-14/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyHGVQXMZRFYYFLI-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds4

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

tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398153) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398153
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCC1
InChIInChI=1S/C17H32N4O2/c1-17(2,3)23-16(22)21-12-10-19-15(13-21)18-9-11-20(4)14-7-5-6-8-14/h14H,5-13H2,1-4H3,(H,18,19)
InChIKeyHGVQXMZRFYYFLI-UHFFFAOYSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398153) is tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CN(CCNC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCC1.
What is the InChIKey of tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is HGVQXMZRFYYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-17(2,3)23-16(22)21-12-10-19-15(13-21)18-9-11-20(4)14-7-5-6-8-14/h14H,5-13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-[cyclopentyl(methyl)amino]ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).