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

C16H29N3O2 — CID 103397906

IUPACtert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)19-11-10-17-14(12-19)18-13-8-6-4-5-7-9-13/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyWFXLKXVKXIEPDL-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.95
Rot. Bonds1

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

tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397906) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397906
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)19-11-10-17-14(12-19)18-13-8-6-4-5-7-9-13/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyWFXLKXVKXIEPDL-UHFFFAOYSA-N
XLogP2.95
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67761333
tert-butyl N-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)carbamate
CID 67762253
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CID 91459698
tert-butyl N-[1-(ethylamino)-1-methyliminopentan-2-yl]-N-methylcarbamate
CID 123848410
tert-butyl (2S)-2-(N-butan-2-yl-N'-methylcarbamimidoyl)pyrrolidine-1-carboxylate
CID 129239380
tert-butyl (2S)-2-[N-[(2R)-butan-2-yl]-N'-ethylcarbamimidoyl]pyrrolidine-1-carboxylate
CID 163739249
Tert-butyl 3-amino-5-propyl-2,5,6,7-tetrahydro-1,4-diazepine-1-carboxylate
CID 67761334
tert-butyl 6-(cyclohexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397844
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397850

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397906) is tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCCCCC2)C1.
What is the InChIKey of tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is WFXLKXVKXIEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)19-11-10-17-14(12-19)18-13-8-6-4-5-7-9-13/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(cycloheptylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).