tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane

C251H453N33O14S2 — CID 157162034

IUPACtert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
SMILESC=C1CC(C(C)(C)C)CN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)OC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C14H27NO2.2C11H21NO2.2C10H15N.C10H20.C9H15N3.2C9H14N2.C9H17N.C9H14.C8H12N2.3C8H14N2.C8H12N2.C8H13NO.C8H13N.2C8H16O.C8H12S.C7H13N3.C7H12N2S.C7H12N2.C7H11NO.4C5H10O.6C2H6/c1-13(2,3)11-8-7-9-15(10-11)12(16)17-14(4,5)6;2*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6-11-5-7(8(10)12-6)9(2,3)4;2*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;6*1-2/h11H,7-10H2,1-6H3;2*9H,5-8H2,1-4H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;8,10H,1,5-6H2,2-4H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;5H,1-4H3;4,6H,5H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;1-4H3,(H,8,9,10);4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4*5H,2-4H2,1H3;6*1-2H3/t;2*9-;;;;;;;;;;;;;;;;;;;;;;;4*5-;;;;;;/m.10......................1010....../s1
InChIKeyAMMKONGPKKBVNO-SVBVXELSSA-N
MW4221.74 g/mol
LogP67.25
Rot. Bonds

About tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane

tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane (PubChem CID 157162034) has the molecular formula C251H453N33O14S2 and a molecular weight of 4221.74 g/mol. Its IUPAC name is tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane.

Molecular Properties

Compound Nametert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
PubChem CID157162034
Molecular FormulaC251H453N33O14S2
Molecular Weight4221.74 g/mol
Exact Mass4218.52
IUPAC Nametert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
SMILESC=C1CC(C(C)(C)C)CN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)OC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C14H27NO2.2C11H21NO2.2C10H15N.C10H20.C9H15N3.2C9H14N2.C9H17N.C9H14.C8H12N2.3C8H14N2.C8H12N2.C8H13NO.C8H13N.2C8H16O.C8H12S.C7H13N3.C7H12N2S.C7H12N2.C7H11NO.4C5H10O.6C2H6/c1-13(2,3)11-8-7-9-15(10-11)12(16)17-14(4,5)6;2*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6-11-5-7(8(10)12-6)9(2,3)4;2*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;6*1-2/h11H,7-10H2,1-6H3;2*9H,5-8H2,1-4H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;8,10H,1,5-6H2,2-4H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;5H,1-4H3;4,6H,5H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;1-4H3,(H,8,9,10);4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4*5H,2-4H2,1H3;6*1-2H3/t;2*9-;;;;;;;;;;;;;;;;;;;;;;;4*5-;;;;;;/m.10......................1010....../s1
InChIKeyAMMKONGPKKBVNO-SVBVXELSSA-N
XLogP67.25
TPSA574.63 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004221.74
LogP ≤ 567.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Analyze tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane with MolForge

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Launch Full Analysis

Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(4-methyl-1,3-oxazol-5-yl)methyl]-6-[2-(4-methyl-3H-pyrrol-5-yl)ethynyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-8-[(5-morpholin-4-ylsulfanyl-1,2-oxazol-4-yl)methyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen;6-[2-(oxan-2-yl)ethynyl]-8-[[3-(oxan-4-yl)imidazol-4-yl]methyl]-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 157093058
ethane;isoquinoline;bis(2-methylpropane);bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-diaza-3-azanidacyclopenta-1,4-diene;4-propan-2-yl-1,3-diaza-2-azanidacyclopenta-3,5-diene;4-propan-2-yl-2,3-diaza-1-azanidacyclopenta-2,4-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;5-propan-2-yl-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;quinoline;pentakis(rubidium(1+))
CID 157097324
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
CID 157190076
CID 157190076
2-tert-butyl-4H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;4-tert-butyloxadiazole;5-tert-butyloxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;bis(5-tert-butyl-2H-tetrazole);2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butylthiadiazole;5-tert-butylthiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157200526
6-tert-butyl-5H-cyclopenta[c]pyridazine;5-tert-butylfuro[3,4-b]pyrazine;6-tert-butylfuro[2,3-b]pyrazine;6-tert-butylfuro[2,3-c]pyridazine;6-tert-butylfuro[3,2-c]pyridazine;7-tert-butylfuro[3,4-c]pyridazine;2-tert-butylfuro[2,3-d]pyridazine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-c]pyridine;bis(3-tert-butyl-2H-pyrazolo[3,4-c]pyridine);6-tert-butylpyrrolo[3,4-b]pyrazine;6-tert-butylpyrrolo[3,4-c]pyridazine;6-tert-butyl-7H-pyrrolo[2,3-c]pyridazine;2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine;3-tert-butyl-[1,2]thiazolo[3,4-c]pyridine;3-tert-butyl-[1,2]thiazolo[5,4-c]pyridine;5-tert-butylthieno[3,4-b]pyrazine;6-tert-butylthieno[2,3-b]pyrazine;6-tert-butylthieno[2,3-c]pyridazine;6-tert-butylthieno[3,2-c]pyridazine;7-tert-butylthieno[3,4-c]pyridazine;2-tert-butylthieno[2,3-d]pyridazine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 157204990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The IUPAC name of tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane (CID 157162034) is tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane.
What is the SMILES notation for tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The canonical SMILES for tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane is C=C1CC(C(C)(C)C)CN1.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)OC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The InChIKey is AMMKONGPKKBVNO-SVBVXELSSA-N. The full InChI is InChI=1S/C14H27NO2.2C11H21NO2.2C10H15N.C10H20.C9H15N3.2C9H14N2.C9H17N.C9H14.C8H12N2.3C8H14N2.C8H12N2.C8H13NO.C8H13N.2C8H16O.C8H12S.C7H13N3.C7H12N2S.C7H12N2.C7H11NO.4C5H10O.6C2H6/c1-13(2,3)11-8-7-9-15(10-11)12(16)17-14(4,5)6;2*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6-11-5-7(8(10)12-6)9(2,3)4;2*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;6*1-2/h11H,7-10H2,1-6H3;2*9H,5-8H2,1-4H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;8,10H,1,5-6H2,2-4H3;4,6-7H,5H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;5H,1-4H3;4,6H,5H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H,1-3H3;1-4H3,(H,8,9,10);4H,1-3H3,(H2,8,9);4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4*5H,2-4H2,1H3;6*1-2H3/t;2*9-;;;;;;;;;;;;;;;;;;;;;;;4*5-;;;;;;/m.10......................1010....../s1.
What are the key properties of tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane has a molecular weight of 4221.74 g/mol, XLogP of 67.25, 0 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tert-butylpiperidine-1-carboxylate;tert-butylcyclohexane;2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;4-tert-butyl-2-methylidenepyrrolidine;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;3-tert-butyl-1-methylpyrazole;bis(3-tert-butyl-4-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;bis(5-tert-butyl-2-methylpyrimidine);3-tert-butyl-5-methyl-1H-1,2,4-triazole;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;4-tert-butyl-1,3-thiazol-2-amine;2-tert-butylthiophene;ethane;(2R)-2-methyloxolane;(2S)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane is sourced from PubChem (CID 157162034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).