2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)

C198H359N25ORf2S2-2 — CID 159621134

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)
SMILESC.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC.CC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCc2c(sc3ccccc23)C1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2sc3ccccc3c2C1.CC(C)(C)N1Cc2ccccc2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CCC1CN2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CN1CCCC2(CCN(C(C)(C)C)C2)C1.C[N-]C1CC2CC1CN2C(C)(C)C.C[N-]C1CC2CCC(C1)N2C(C)(C)C.[Rf].[Rf]
InChIInChI=1S/2C15H19NS.C14H28N2.C13H26N2.C13H23NO.C13H19N.C12H23N2.C12H17N.C11H22N2.C11H21N2.3C11H22N2.C11H21N.C10H20N2.C10H19N.2C2H6.CH4.2Rf/c1-15(2,3)16-9-8-14-12(10-16)11-6-4-5-7-13(11)17-14;1-15(2,3)16-9-8-12-11-6-4-5-7-13(11)17-14(12)10-16;1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13;1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)14-10-5-6-11(14)8-9(7-10)13-4;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-8-5-9(13)6-10(8)12-4;1-11(2,3)13-8-9-5-6-10(13)7-12(9)4;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-7-8-4-5-9(11)6-8;2*1-2;;;/h2*4-7H,8-10H2,1-3H3;5-12H2,1-4H3;5-11H2,1-4H3;10-12,15H,1,5-8H2,2-4H3;4-7H,8-10H2,1-3H3;9-11H,5-8H2,1-4H3;4-7H,8-9H2,1-3H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;3*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*1-2H3;1H4;;/q;;;;;;-1;;;-1;;;;;;;;;;;
InChIKeyLAMZFXWFWBCQFL-UHFFFAOYSA-N
MW3704.36 g/mol
LogP41.31
Rot. Bonds3

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) (PubChem CID 159621134) has the molecular formula C198H359N25ORf2S2-2 and a molecular weight of 3704.36 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium).

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)
PubChem CID159621134
Molecular FormulaC198H359N25ORf2S2-2
Molecular Weight3704.36 g/mol
Exact Mass3702.07
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)
SMILESC.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC.CC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCc2c(sc3ccccc23)C1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2sc3ccccc3c2C1.CC(C)(C)N1Cc2ccccc2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CCC1CN2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CN1CCCC2(CCN(C(C)(C)C)C2)C1.C[N-]C1CC2CC1CN2C(C)(C)C.C[N-]C1CC2CCC(C1)N2C(C)(C)C.[Rf].[Rf]
InChIInChI=1S/2C15H19NS.C14H28N2.C13H26N2.C13H23NO.C13H19N.C12H23N2.C12H17N.C11H22N2.C11H21N2.3C11H22N2.C11H21N.C10H20N2.C10H19N.2C2H6.CH4.2Rf/c1-15(2,3)16-9-8-14-12(10-16)11-6-4-5-7-13(11)17-14;1-15(2,3)16-9-8-12-11-6-4-5-7-13(11)17-14(12)10-16;1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13;1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)14-10-5-6-11(14)8-9(7-10)13-4;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-8-5-9(13)6-10(8)12-4;1-11(2,3)13-8-9-5-6-10(13)7-12(9)4;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-7-8-4-5-9(11)6-8;2*1-2;;;/h2*4-7H,8-10H2,1-3H3;5-12H2,1-4H3;5-11H2,1-4H3;10-12,15H,1,5-8H2,2-4H3;4-7H,8-10H2,1-3H3;9-11H,5-8H2,1-4H3;4-7H,8-9H2,1-3H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;3*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*1-2H3;1H4;;/q;;;;;;-1;;;-1;;;;;;;;;;;
InChIKeyLAMZFXWFWBCQFL-UHFFFAOYSA-N
XLogP41.31
TPSA122.95 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds3
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003704.36
LogP ≤ 541.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) (CID 159621134) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium).
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) is C.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC.CC.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCc2c(sc3ccccc23)C1.CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)N1CCc2sc3ccccc3c2C1.CC(C)(C)N1Cc2ccccc2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CCC1CN2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.CN1CCC2(CC1)CCN(C(C)(C)C)CC2.CN1CCCC2(CCN(C(C)(C)C)C2)C1.C[N-]C1CC2CC1CN2C(C)(C)C.C[N-]C1CC2CCC(C1)N2C(C)(C)C.[Rf].[Rf].
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)?
The InChIKey is LAMZFXWFWBCQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19NS.C14H28N2.C13H26N2.C13H23NO.C13H19N.C12H23N2.C12H17N.C11H22N2.C11H21N2.3C11H22N2.C11H21N.C10H20N2.C10H19N.2C2H6.CH4.2Rf/c1-15(2,3)16-9-8-14-12(10-16)11-6-4-5-7-13(11)17-14;1-15(2,3)16-9-8-12-11-6-4-5-7-13(11)17-14(12)10-16;1-13(2,3)16-11-7-14(8-12-16)5-9-15(4)10-6-14;1-12(2,3)15-9-7-13(11-15)6-5-8-14(4)10-13;1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)14-10-5-6-11(14)8-9(7-10)13-4;1-12(2,3)13-8-10-6-4-5-7-11(10)9-13;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-8-5-9(13)6-10(8)12-4;1-11(2,3)13-8-9-5-6-10(13)7-12(9)4;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)11-7-8-4-5-9(11)6-8;2*1-2;;;/h2*4-7H,8-10H2,1-3H3;5-12H2,1-4H3;5-11H2,1-4H3;10-12,15H,1,5-8H2,2-4H3;4-7H,8-10H2,1-3H3;9-11H,5-8H2,1-4H3;4-7H,8-9H2,1-3H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;3*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;2*1-2H3;1H4;;/q;;;;;;-1;;;-1;;;;;;;;;;;.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium)?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) has a molecular weight of 3704.36 g/mol, XLogP of 41.31, 3 rotatable bonds, 1 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;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-methylazanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)-methylazanide;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine;2-tert-butyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;3-tert-butyl-9-methyl-3,9-diazaspiro[5.5]undecane;ethane;methane;bis(rutherfordium) is sourced from PubChem (CID 159621134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).