2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C165H294N20O3S — CID 158549291

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESC=C1CCC2(CCN(C(C)(C)C)CC2)O1.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CCC2(CCCO2)CC1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCc2[nH]ccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C13H23NO.C13H19N.C12H23NO.C12H17NO.C12H23N.C11H22N2.C11H18N2.C11H17NS.C11H21N.C10H17N3.C10H20N2.3C10H19N.C9H17N/c1-11-5-6-13(15-11)7-9-14(10-8-13)12(2,3)4;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-11(2,3)13-8-6-12(7-9-13)5-4-10-14-12;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13;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)13-7-5-10-9(8-13)4-6-12-10;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)11-7-10(8-11)5-4-6-10;1-9(2,3)10-5-7-4-8(7)6-10/h1,5-10H2,2-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-10H2,1-3H3;4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;4,6,12H,5,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;9-10H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyHPMYHGXMXNOSNU-UHFFFAOYSA-N
MW2638.37 g/mol
LogP34.36
Rot. Bonds

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 158549291) has the molecular formula C165H294N20O3S and a molecular weight of 2638.37 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID158549291
Molecular FormulaC165H294N20O3S
Molecular Weight2638.37 g/mol
Exact Mass2636.32
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESC=C1CCC2(CCN(C(C)(C)C)CC2)O1.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CCC2(CCCO2)CC1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCc2[nH]ccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C13H23NO.C13H19N.C12H23NO.C12H17NO.C12H23N.C11H22N2.C11H18N2.C11H17NS.C11H21N.C10H17N3.C10H20N2.3C10H19N.C9H17N/c1-11-5-6-13(15-11)7-9-14(10-8-13)12(2,3)4;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-11(2,3)13-8-6-12(7-9-13)5-4-10-14-12;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13;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)13-7-5-10-9(8-13)4-6-12-10;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)11-7-10(8-11)5-4-6-10;1-9(2,3)10-5-7-4-8(7)6-10/h1,5-10H2,2-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-10H2,1-3H3;4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;4,6,12H,5,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;9-10H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyHPMYHGXMXNOSNU-UHFFFAOYSA-N
XLogP34.36
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002638.37
LogP ≤ 534.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine 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-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 158549291) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is C=C1CCC2(CCN(C(C)(C)C)CC2)O1.CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CCCCC2C1.CC(C)(C)N1CCC2(CCCO2)CC1.CC(C)(C)N1CCCc2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCc2[nH]ccc2C1.CC(C)(C)N1CCc2nc[nH]c2C1.CC(C)(C)N1CCc2sccc2C1.CN1CC2(C1)CN(C(C)(C)C)C2.CN1CC2CN(C(C)(C)C)CC2C1.
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is HPMYHGXMXNOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C13H19N.C12H23NO.C12H17NO.C12H23N.C11H22N2.C11H18N2.C11H17NS.C11H21N.C10H17N3.C10H20N2.3C10H19N.C9H17N/c1-11-5-6-13(15-11)7-9-14(10-8-13)12(2,3)4;1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14;1-11(2,3)13-8-6-12(7-9-13)5-4-10-14-12;1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13;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)13-7-5-10-9(8-13)4-6-12-10;1-11(2,3)12-6-4-10-9(8-12)5-7-13-10;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)13-5-4-8-9(6-13)12-7-11-8;1-9(2,3)12-7-10(8-12)5-11(4)6-10;1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9(2,3)11-7-10(8-11)5-4-6-10;1-9(2,3)10-5-7-4-8(7)6-10/h1,5-10H2,2-4H3;4-5,7,9H,6,8,10H2,1-3H3;4-10H2,1-3H3;4-7H,8-9H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3;4,6,12H,5,7-8H2,1-3H3;5,7H,4,6,8H2,1-3H3;9-10H,4-8H2,1-3H3;7H,4-6H2,1-3H3,(H,11,12);5-8H2,1-4H3;2*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 2638.37 g/mol, XLogP of 34.36, 0 rotatable bonds, 2 hydrogen bond donors, and 22 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-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-2-azabicyclo[2.2.1]heptane;7-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;5-tert-butyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;8-tert-butyl-2-methylidene-1-oxa-8-azaspiro[4.5]decane;8-tert-butyl-1-oxa-8-azaspiro[4.5]decane;5-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-tert-butyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158549291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).