2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole

C240H371N23O4S — CID 157144032

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CC=N2.CC(C)(C)c1nsnc1CCCCO.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N(C)C.Cc1cc(C(C)(C)C)no1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1CN1CCCC1.Cc1ccc(CCN(C)C)c(C(C)(C)C)c1.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2.C16H25N.C15H23NO.C15H25N.C13H21N.C13H16.C12H16N2.C12H20N2.C12H15N.C12H19N.C12H18.C11H14N2.C11H19NO.C11H21N.C11H16.C10H18N2OS.2C10H15N.C9H14N2.C8H13NO/c1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-13-7-8-15(16(2,3)4)11-14(13)12-17-9-5-6-10-17;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-12-7-8-13(9-10-16(5)6)14(11-12)15(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-9-7-10(12(2,3)4)8-13-11(9)14(5)6;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-9-6-7-11(8-10(9)2)12(3,4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-8(11-14-12-9)6-4-5-7-13;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-6-5-7(9-10-6)8(2,3)4/h6-8,13H,5,9-12,14H2,1-4H3;7-8,11H,5-6,9-10,12H2,1-4H3;4-6,11H,7-10,12H2,1-3H3;7-8,11H,9-10H2,1-6H3;6-9H,10H2,1-5H3;4-7,9H,8H2,1-3H3;5-7H,1-4H3,(H,13,14);7-8H,1-6H3;4-6,8H,7H2,1-3H3;6-9H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);7H,1-6H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;13H,4-7H2,1-3H3;2*5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3
InChIKeyAKMWDPFNZZXFJC-UHFFFAOYSA-N
MW3674.83 g/mol
LogP59.73
Rot. Bonds20

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (PubChem CID 157144032) has the molecular formula C240H371N23O4S and a molecular weight of 3674.83 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
PubChem CID157144032
Molecular FormulaC240H371N23O4S
Molecular Weight3674.83 g/mol
Exact Mass3671.93
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CC=N2.CC(C)(C)c1nsnc1CCCCO.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N(C)C.Cc1cc(C(C)(C)C)no1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1CN1CCCC1.Cc1ccc(CCN(C)C)c(C(C)(C)C)c1.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2.C16H25N.C15H23NO.C15H25N.C13H21N.C13H16.C12H16N2.C12H20N2.C12H15N.C12H19N.C12H18.C11H14N2.C11H19NO.C11H21N.C11H16.C10H18N2OS.2C10H15N.C9H14N2.C8H13NO/c1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-13-7-8-15(16(2,3)4)11-14(13)12-17-9-5-6-10-17;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-12-7-8-13(9-10-16(5)6)14(11-12)15(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-9-7-10(12(2,3)4)8-13-11(9)14(5)6;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-9-6-7-11(8-10(9)2)12(3,4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-8(11-14-12-9)6-4-5-7-13;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-6-5-7(9-10-6)8(2,3)4/h6-8,13H,5,9-12,14H2,1-4H3;7-8,11H,5-6,9-10,12H2,1-4H3;4-6,11H,7-10,12H2,1-3H3;7-8,11H,9-10H2,1-6H3;6-9H,10H2,1-5H3;4-7,9H,8H2,1-3H3;5-7H,1-4H3,(H,13,14);7-8H,1-6H3;4-6,8H,7H2,1-3H3;6-9H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);7H,1-6H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;13H,4-7H2,1-3H3;2*5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3
InChIKeyAKMWDPFNZZXFJC-UHFFFAOYSA-N
XLogP59.73
TPSA270.63 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms268
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003674.83
LogP ≤ 559.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (CID 157144032) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole is CC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2c1CC=N2.CC(C)(C)c1nsnc1CCCCO.CCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1cccc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1N(C)C.Cc1cc(C(C)(C)C)no1.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1CN1CCCC1.Cc1ccc(CCN(C)C)c(C(C)(C)C)c1.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?
The InChIKey is AKMWDPFNZZXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C16H25N.C15H23NO.C15H25N.C13H21N.C13H16.C12H16N2.C12H20N2.C12H15N.C12H19N.C12H18.C11H14N2.C11H19NO.C11H21N.C11H16.C10H18N2OS.2C10H15N.C9H14N2.C8H13NO/c1-5-18-9-11-19(12-10-18)14-15-7-6-8-16(13-15)17(2,3)4;1-13-7-8-15(16(2,3)4)11-14(13)12-17-9-5-6-10-17;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-12-7-8-13(9-10-16(5)6)14(11-12)15(2,3)4;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-9-7-10(12(2,3)4)8-13-11(9)14(5)6;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-9-6-7-11(8-10(9)2)12(3,4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)9-8(11-14-12-9)6-4-5-7-13;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-6-5-7(9-10-6)8(2,3)4/h6-8,13H,5,9-12,14H2,1-4H3;7-8,11H,5-6,9-10,12H2,1-4H3;4-6,11H,7-10,12H2,1-3H3;7-8,11H,9-10H2,1-6H3;6-9H,10H2,1-5H3;4-7,9H,8H2,1-3H3;5-7H,1-4H3,(H,13,14);7-8H,1-6H3;4-6,8H,7H2,1-3H3;6-9H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);7H,1-6H3;9-10H,4-8H2,1-3H3;5-8H,1-4H3;13H,4-7H2,1-3H3;2*5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole has a molecular weight of 3674.83 g/mol, XLogP of 59.73, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-1,2-dimethylbenzene;7-tert-butyl-1H-indene;4-tert-butyl-3H-indole;1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methyl-1,2-oxazole;2-(2-tert-butyl-4-methylphenyl)-N,N-dimethylethanamine;1-[(5-tert-butyl-2-methylphenyl)methyl]pyrrolidine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;1-[(3-tert-butylphenyl)methyl]-4-ethylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butyl-1,2,5-thiadiazol-3-yl)butan-1-ol;5-tert-butyl-N,N,3-trimethylpyridin-2-amine;3,5-ditert-butyl-1,2-oxazole;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 157144032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).