1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane

C171H347F8N29O4 — CID 160817978

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane (PubChem CID 160817978) has the molecular formula C171H347F8N29O4 and a molecular weight of 3025.84 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane.

Molecular Properties

• Compound Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
• PubChem CID: 160817978
• Molecular Formula: C171H347F8N29O4
• Molecular Weight: 3025.84 g/mol
• Exact Mass: 3023.77
• IUPAC Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
• SMILES: C.CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(O)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1(C)C
• InChI: InChI=1S/C13H28N2.C13H27N.2C11H18F2N4.2C11H24N2.C10H21NO.C10H21N.C9H17F2N.C9H20N2.2C9H19N.C8H16N2O.C8H15NO.C8H17N.C7H13F2N.C7H13NO.C6H13N.CH4/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-9(2,3)11-7-5-10(4,12)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7;/h9-10H2,1-8H3;8-10H2,1-7H3;2*5-7H2,1-4H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;1H4
• InChIKey: SFDSLSJAHPUCFF-UHFFFAOYSA-N
• XLogP: 34.93
• TPSA: 207.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 2
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3025.84
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane?

The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane (CID 160817978) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane.

What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane?

The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane is C.CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1(O)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1(C)C.

What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane?

The InChIKey is SFDSLSJAHPUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C13H27N.2C11H18F2N4.2C11H24N2.C10H21NO.C10H21N.C9H17F2N.C9H20N2.2C9H19N.C8H16N2O.C8H15NO.C8H17N.C7H13F2N.C7H13NO.C6H13N.CH4/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-9(2,3)11-7-5-10(4,12)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-7-5-10(4)6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7;/h9-10H2,1-8H3;8-10H2,1-7H3;2*5-7H2,1-4H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;12H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-5H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;1H4.

What are the key properties of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane?

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane has a molecular weight of 3025.84 g/mol, XLogP of 34.93, 2 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane is sourced from PubChem (CID 160817978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).