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

C17H31N3O2 — CID 103398281

IUPACtert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC1(C)CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-10-9-18-14(12-20)19-13-7-6-8-17(4,5)11-13/h13H,6-12H2,1-5H3,(H,18,19)
InChIKeyBPVSPZBKQDYYBJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.19
Rot. Bonds1

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

tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398281) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398281
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC1(C)CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-10-9-18-14(12-20)19-13-7-6-8-17(4,5)11-13/h13H,6-12H2,1-5H3,(H,18,19)
InChIKeyBPVSPZBKQDYYBJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-[(3,3-dimethylcyclopentyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398424
tert-butyl 6-[(4-methylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397895
tert-butyl 6-[(1-oxothian-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398368
tert-butyl 6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398061
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-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
CID 145066707
tert-butyl 6-[(1-methylpiperidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398075
tert-butyl 6-[(1,1-dioxothiolan-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398277
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398281) is tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC1(C)CCCC(NC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is BPVSPZBKQDYYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-10-9-18-14(12-20)19-13-7-6-8-17(4,5)11-13/h13H,6-12H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3,3-dimethylcyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).