1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide

C229H479F8N35O9S — CID 160704119

IUPAC1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC.C.C.C.C.C.C.C.C=S1(=O)CCN(C(C)C)CC1.CC(C)(C)N1CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H20FN.C10H22N2.C10H21N.C9H17F2N.C9H18FN.2C9H18N2O.C9H17NO.3C9H19N.C8H16FN.C8H16N2O.C8H17NOS.C8H15NO.C8H17N.2C7H12N2.C7H13NO2.C7H13NO.C6H13N.8CH4/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;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)15-6-5-14(4)8(7-15)10(11,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-5-9(10,11)7-12;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7;;;;;;;;/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-7H2,1-4H3;2*5-7H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;8H,3-7H2,1-2H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;8*1H4
InChIKeyRQZPNEVDRGXGLP-UHFFFAOYSA-N
MW4051.64 g/mol
LogP47.31
Rot. Bonds1

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 160704119) has the molecular formula C229H479F8N35O9S and a molecular weight of 4051.64 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID160704119
Molecular FormulaC229H479F8N35O9S
Molecular Weight4051.64 g/mol
Exact Mass4048.77
IUPAC Name1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC.C.C.C.C.C.C.C.C=S1(=O)CCN(C(C)C)CC1.CC(C)(C)N1CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H20FN.C10H22N2.C10H21N.C9H17F2N.C9H18FN.2C9H18N2O.C9H17NO.3C9H19N.C8H16FN.C8H16N2O.C8H17NOS.C8H15NO.C8H17N.2C7H12N2.C7H13NO2.C7H13NO.C6H13N.8CH4/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;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)15-6-5-14(4)8(7-15)10(11,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-5-9(10,11)7-12;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7;;;;;;;;/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-7H2,1-4H3;2*5-7H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;8H,3-7H2,1-2H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;8*1H4
InChIKeyRQZPNEVDRGXGLP-UHFFFAOYSA-N
XLogP47.31
TPSA281.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds1
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004051.64
LogP ≤ 547.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide with MolForge

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Launch Full Analysis

Related Compounds

CID 157054797
CID 157054797
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;3-tert-butyl-1,3-oxazolidin-2-one;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,6-trimethylpiperazine
CID 157304567
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidin-2-one;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 158717835
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;3-tert-butyl-1,3-oxazolidin-2-one;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 158963147
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 159200003
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpyrrolidin-2-one;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 160201538
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 160543162
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 160662755
CID 160732209
CID 160732209
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 160774082
1-Tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperazine-2-carboxamide;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine
CID 162055655
CID 162111297
CID 162111297

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide (CID 160704119) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide is C.C.C.C.C.C.C.C.C=S1(=O)CCN(C(C)C)CC1.CC(C)(C)N1CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC(F)(F)C1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCOC1=O.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.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.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1=O.CN1CCN(C(C)(C)C)CC1C(F)(F)F.
What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is RQZPNEVDRGXGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C11H24N2.C10H19F3N2.C10H20FN.C10H22N2.C10H21N.C9H17F2N.C9H18FN.2C9H18N2O.C9H17NO.3C9H19N.C8H16FN.C8H16N2O.C8H17NOS.C8H15NO.C8H17N.2C7H12N2.C7H13NO2.C7H13NO.C6H13N.8CH4/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;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)15-6-5-14(4)8(7-15)10(11,12)13;1-9(2,3)12-7-5-10(4,11)6-8-12;1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-5-9(10,11)7-12;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2)9-4-6-11(3,10)7-5-9;1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-4-5-10-6(8)9;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7;;;;;;;;/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8H,5-7H2,1-4H3;5-8H2,1-4H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-7H2,1-4H3;2*5-7H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;8H,3-7H2,1-2H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;2*4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3;8*1H4.
What are the key properties of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 4051.64 g/mol, XLogP of 47.31, 1 rotatable bonds, 0 hydrogen bond donors, and 36 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-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-methyl-2-(trifluoromethyl)piperazine;3-tert-butyl-1,3-oxazolidin-2-one;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 160704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).