2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane

C243H466N20O — CID 162024321

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)C1CCC1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCC12CC2.CC(C)(C)N1CCCC2(COC2)C1.CC1CCC2(CC1)CN(C(C)(C)C)C2.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2C(C1)C2CC(C)(C)C.CN1CC2C(CCC(C)(C)C)C2C1.CN1CC2CC(C(C)(C)C)CC2C1.CN1CCC2(CC1)CC(C(C)(C)C)C2
InChIInChI=1S/2C13H25N.4C12H23N.C11H21NO.6C11H21N.C11H20.5C10H19N.C9H17N.C8H16.C7H15N.C7H14/c1-12(2,3)11-9-13(10-11)5-7-14(4)8-6-13;1-11-5-7-13(8-6-11)9-14(10-13)12(2,3)4;1-12(2,3)11-5-9-7-13(4)8-10(9)6-11;1-12(2,3)6-5-9-10-7-13(4)8-11(9)10;2*1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-6-4-5-11(7-12)8-13-9-11;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)5-8-9-6-12(4)7-10(8)9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-10(2,3)9-7-11(8-9)5-4-6-11;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-7-6-10(8-11)4-5-10;1-9(2,3)11-8-4-5-10(11)6-7-10;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;1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-6/h2*11H,5-10H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyYVDYRYKAPSMDSN-UHFFFAOYSA-N
MW3684.54 g/mol
LogP57.98
Rot. Bonds4

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 162024321) has the molecular formula C243H466N20O and a molecular weight of 3684.54 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID162024321
Molecular FormulaC243H466N20O
Molecular Weight3684.54 g/mol
Exact Mass3681.70
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)C1CCC1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCC12CC2.CC(C)(C)N1CCCC2(COC2)C1.CC1CCC2(CC1)CN(C(C)(C)C)C2.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2C(C1)C2CC(C)(C)C.CN1CC2C(CCC(C)(C)C)C2C1.CN1CC2CC(C(C)(C)C)CC2C1.CN1CCC2(CC1)CC(C(C)(C)C)C2
InChIInChI=1S/2C13H25N.4C12H23N.C11H21NO.6C11H21N.C11H20.5C10H19N.C9H17N.C8H16.C7H15N.C7H14/c1-12(2,3)11-9-13(10-11)5-7-14(4)8-6-13;1-11-5-7-13(8-6-11)9-14(10-13)12(2,3)4;1-12(2,3)11-5-9-7-13(4)8-10(9)6-11;1-12(2,3)6-5-9-10-7-13(4)8-11(9)10;2*1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-6-4-5-11(7-12)8-13-9-11;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)5-8-9-6-12(4)7-10(8)9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-10(2,3)9-7-11(8-9)5-4-6-11;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-7-6-10(8-11)4-5-10;1-9(2,3)11-8-4-5-10(11)6-7-10;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;1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-6/h2*11H,5-10H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyYVDYRYKAPSMDSN-UHFFFAOYSA-N
XLogP57.98
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds4
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003684.54
LogP ≤ 557.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.5]nonane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 157148093
CID 158407890
CID 158407890
CID 158998382
CID 158998382
CID 159490804
CID 159490804
CID 161174114
CID 161174114

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-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane (CID 162024321) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane is CC(C)(C)C1CC1.CC(C)(C)C1CC2(CCC2)C1.CC(C)(C)C1CCC1.CC(C)(C)CN1CC2CC2C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC2C1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CC2)C1.CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCCC12CC2.CC(C)(C)N1CCCC2(COC2)C1.CC1CCC2(CC1)CN(C(C)(C)C)C2.CN1CC2(CC(C(C)(C)C)C2)C1.CN1CC2C(C1)C2CC(C)(C)C.CN1CC2C(CCC(C)(C)C)C2C1.CN1CC2CC(C(C)(C)C)CC2C1.CN1CCC2(CC1)CC(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is YVDYRYKAPSMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.4C12H23N.C11H21NO.6C11H21N.C11H20.5C10H19N.C9H17N.C8H16.C7H15N.C7H14/c1-12(2,3)11-9-13(10-11)5-7-14(4)8-6-13;1-11-5-7-13(8-6-11)9-14(10-13)12(2,3)4;1-12(2,3)11-5-9-7-13(4)8-10(9)6-11;1-12(2,3)6-5-9-10-7-13(4)8-11(9)10;2*1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-6-4-5-11(7-12)8-13-9-11;1-10(2,3)9-5-11(6-9)7-12(4)8-11;1-11(2,3)5-8-9-6-12(4)7-10(8)9;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-10(2,3)9-7-11(8-9)5-4-6-11;1-10(2,3)7-11-5-8-4-9(8)6-11;1-10(2,3)11-6-8-4-5-9(8)7-11;1-9(2,3)11-7-6-10(8-11)4-5-10;1-9(2,3)11-8-4-5-10(11)6-7-10;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;1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;1-7(2,3)6-4-5-6/h2*11H,5-10H2,1-4H3;2*9-11H,5-8H2,1-4H3;2*4-10H2,1-3H3;4-9H2,1-3H3;9H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;2*4-9H2,1-3H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;3*4-8H2,1-3H3;7-8H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 3684.54 g/mol, XLogP of 57.98, 4 rotatable bonds, 0 hydrogen bond donors, and 21 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-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;bis(7-tert-butyl-7-azaspiro[3.5]nonane);2-tert-butyl-2-azaspiro[3.4]octane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;1-tert-butylazetidine;tert-butylcyclobutane;tert-butylcyclopropane;5-tert-butyl-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;6-tert-butyl-2-methyl-2-azaspiro[3.3]heptane;2-tert-butyl-7-methyl-2-azaspiro[3.5]nonane;2-tert-butyl-7-methyl-7-azaspiro[3.5]nonane;8-tert-butyl-2-oxa-8-azaspiro[3.5]nonane;2-tert-butylspiro[3.3]heptane;6-(3,3-dimethylbutyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;6-(2,2-dimethylpropyl)-3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 162024321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).