tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H32N4O2 — CID 103397882

IUPACtert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-6-19(7-2)11-8-9-17-14-13-20(12-10-18-14)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18)
InChIKeyFLRZGGPRERTLCC-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.96
Rot. Bonds6

About tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397882) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397882
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN(CC)CCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N4O2/c1-6-19(7-2)11-8-9-17-14-13-20(12-10-18-14)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18)
InChIKeyFLRZGGPRERTLCC-UHFFFAOYSA-N
XLogP1.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.96
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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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(4,4,4-trifluorobutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398290
tert-butyl 6-(2,2,3,3-tetrafluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106293719
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
Tert-butyl 3-amino-2,5,6,7-tetrahydro-1,4-diazepine-1-carboxylate
CID 54517350
tert-Butyl 2-(4,5-dihydro-1H-imidazol-2-yl)ethylcarbamate
CID 58381361
tert-butyl 6-amino-1-(N'-methylcarbamimidoyl)-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate
CID 142547128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397882) is tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN(CC)CCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is FLRZGGPRERTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-6-19(7-2)11-8-9-17-14-13-20(12-10-18-14)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 312.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[3-(diethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).