2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole

C205H319N21OS — CID 160515880

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cccc2cc[nH]c12.CN(C)CCc1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CNc1nsnc1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C(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.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.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
InChIInChI=1S/C15H25N.2C14H23N.2C13H21N.C12H16N2.C12H15N.2C12H19N.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;1-14(2,3)13-8-6-7-12(11-13)9-10-15(4)5;1-9(2)12-10(3)7-11(8-14-12)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;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;6-8,11H,9-10H2,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*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)
InChIKeyQTQNCTVSILQMBE-UHFFFAOYSA-N
MW3126.02 g/mol
LogP53.28
Rot. Bonds16

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (PubChem CID 160515880) has the molecular formula C205H319N21OS and a molecular weight of 3126.02 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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
PubChem CID160515880
Molecular FormulaC205H319N21OS
Molecular Weight3126.02 g/mol
Exact Mass3123.53
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
SMILESCC(C)(C)N1CC2CCCC2C1.CC(C)(C)c1cccc2cc[nH]c12.CN(C)CCc1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CNc1nsnc1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C(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.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.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
InChIInChI=1S/C15H25N.2C14H23N.2C13H21N.C12H16N2.C12H15N.2C12H19N.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;1-14(2,3)13-8-6-7-12(11-13)9-10-15(4)5;1-9(2)12-10(3)7-11(8-14-12)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;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;6-8,11H,9-10H2,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*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)
InChIKeyQTQNCTVSILQMBE-UHFFFAOYSA-N
XLogP53.28
TPSA224.12 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.02
LogP ≤ 553.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (CID 160515880) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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)c1cccc2cc[nH]c12.CN(C)CCc1cccc(C(C)(C)C)c1.CN(C)Cc1cccc(C(C)(C)C)c1.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CNc1nsnc1C(C)(C)C.Cc1cc(C(C)(C)C)cnc1C(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.Cc1ccc2[nH]c(C(C)C)nc2c1C.Cc1ccc2nc(C(C)C)[nH]c2c1.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;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?
The InChIKey is QTQNCTVSILQMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.2C14H23N.2C13H21N.C12H16N2.C12H15N.2C12H19N.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;1-14(2,3)13-8-6-7-12(11-13)9-10-15(4)5;1-9(2)12-10(3)7-11(8-14-12)13(4,5)6;1-13(2,3)12-8-6-7-11(9-12)10-14(4)5;1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;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;6-8,11H,9-10H2,1-5H3;7-9H,1-6H3;6-9H,10H2,1-5H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;2*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;3-tert-butyl-N,N-dimethylaniline;4-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole has a molecular weight of 3126.02 g/mol, XLogP of 53.28, 16 rotatable bonds, 4 hydrogen bond donors, and 20 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-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;5-tert-butyl-3-methyl-2-propan-2-ylpyridine;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;2-(3-tert-butylphenyl)-N,N-dimethylethanamine;1-(3-tert-butylphenyl)-N,N-dimethylmethanamine;4,5-dimethyl-2-propan-2-yl-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 160515880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).