2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine

C166H260N18OS — CID 157424075

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine (PubChem CID 157424075) has the molecular formula C166H260N18OS and a molecular weight of 2556.10 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine.

Molecular Properties

• Compound Name: 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine
• PubChem CID: 157424075
• Molecular Formula: C166H260N18OS
• Molecular Weight: 2556.10 g/mol
• Exact Mass: 2554.06
• IUPAC Name: 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine
• SMILES: CC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2cc[nH]c12.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1cccc(C(C)(C)C)c1.CNc1nsnc1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1N(C)C.Cc1cc(C(C)(C)C)no1.Cc1ccc(C(C)(C)C)cc1CN(C)C.Cc1ccc(CCN(C)C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)(C)C)n1.Cc1cncc(C(C)(C)C)c1
• InChI: InChI=1S/C15H25N.C14H23N.C13H21N.C12H20N2.C12H15N.C12H19N.C11H14N2.C11H21N.2C11H16.2C10H15N.C9H14N2.C8H13NO.C7H13N3S/c1-12-7-8-13(9-10-16(5)6)14(11-12)15(2,3)4;1-11-7-8-13(14(2,3)4)9-12(11)10-15(5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-9-7-10(12(2,3)4)8-13-11(9)14(5)6;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;2*1-9-6-5-7-10(8-9)11(2,3)4;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;1-7(2,3)5-6(8-4)10-11-9-5/h7-8,11H,9-10H2,1-6H3;7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;7-8H,1-6H3;4-8,13H,1-3H3;6-9H,1-5H3;4-7H,1-3H3,(H,12,13);9-10H,4-8H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3,(H,8,10)
• InChIKey: BPTHAVPUVMTDIJ-UHFFFAOYSA-N
• XLogP: 42.64
• TPSA: 192.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.10
LogP ≤ 5	42.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine?

The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine (CID 157424075) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine.

What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine?

The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine is CC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2cc[nH]c12.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1cccc(C(C)(C)C)c1.CNc1nsnc1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1N(C)C.Cc1cc(C(C)(C)C)no1.Cc1ccc(C(C)(C)C)cc1CN(C)C.Cc1ccc(CCN(C)C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.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;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine?

The InChIKey is BPTHAVPUVMTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.C14H23N.C13H21N.C12H20N2.C12H15N.C12H19N.C11H14N2.C11H21N.2C11H16.2C10H15N.C9H14N2.C8H13NO.C7H13N3S/c1-12-7-8-13(9-10-16(5)6)14(11-12)15(2,3)4;1-11-7-8-13(14(2,3)4)9-12(11)10-15(5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-9-7-10(12(2,3)4)8-13-11(9)14(5)6;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;2*1-9-6-5-7-10(8-9)11(2,3)4;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;1-7(2,3)5-6(8-4)10-11-9-5/h7-8,11H,9-10H2,1-6H3;7-9H,10H2,1-6H3;6-9H,10H2,1-5H3;7-8H,1-6H3;4-8,13H,1-3H3;6-9H,1-5H3;4-7H,1-3H3,(H,12,13);9-10H,4-8H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3;5H,1-4H3;1-4H3,(H,8,10).

What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine?

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine has a molecular weight of 2556.10 g/mol, XLogP of 42.64, 10 rotatable bonds, 3 hydrogen bond donors, and 18 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;4-tert-butyl-1H-benzimidazole;3-tert-butyl-N,N-dimethylaniline;7-tert-butyl-1H-indole;bis(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)-N,N-dimethylmethanamine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylpyrimidine;4-tert-butyl-N-methyl-1,2,5-thiadiazol-3-amine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;5-tert-butyl-N,N,3-trimethylpyridin-2-amine is sourced from PubChem (CID 157424075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).