(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine

C171H350N22 — CID 159985301

IUPAC(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCC(C)(C)CC1[C@H]2CNC[C@@H]12.CC(C)(C)N1C2CCC1CC(N)C2.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CCC2(CCN2)CC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1C[C@H]2CNC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC1(C)CCN(C(C)(C)C)CC1.CC1CC12CCN(C(C)(C)C)C2.CC1CCCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)C(C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1(C)C.CC1CCN(C(C)(C)C)CC1C.CCC1CNCCN1C(C)(C)C.CN1CC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C12H23N.C12H25N.3C11H22N2.C11H21N.4C11H23N.C10H20N2.C10H22N2.C10H19N.2C10H21N.C9H20N2/c1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-10(2,3)13-8-5-11(6-9-13)4-7-12-11;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-9-7-11(9)5-6-12(8-11)10(2,3)4;1-10(2,3)12-8-6-11(4,5)7-9-12;1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-6-7-12(10(2)8-9)11(3,4)5;1-10-6-5-8-12(9-7-10)11(2,3)4;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-5-9-8-11-6-7-12(9)10(2,3)4;1-10(2,3)4-7-8-5-11-6-9(7)8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)7-9-5-6-11(4)8-9;1-9(2,3)11-7-4-5-10-6-8-11/h10,13H,4-9H2,1-3H3;10H,7-9H2,1-6H3;2*12H,4-9H2,1-3H3;8-10H,4-7,12H2,1-3H3;9H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9,11H,4-7H2,1-3H3;9,11H,5-8H2,1-4H3;7-9,11H,4-6H2,1-3H3;2*9H,5-8H2,1-4H3;10H,4-8H2,1-3H3/t;;;;;;;;;;8-,9+;;7?,8-,9+;;9-;/m..............1./s1
InChIKeyOGGIIRJOFZBPOL-FHGXMIAUSA-N
MW2714.83 g/mol
LogP35.34
Rot. Bonds4

About (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine

(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine (PubChem CID 159985301) has the molecular formula C171H350N22 and a molecular weight of 2714.83 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
PubChem CID159985301
Molecular FormulaC171H350N22
Molecular Weight2714.83 g/mol
Exact Mass2712.81
IUPAC Name(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
SMILESCC(C)(C)CC1[C@H]2CNC[C@@H]12.CC(C)(C)N1C2CCC1CC(N)C2.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CCC2(CCN2)CC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1C[C@H]2CNC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC1(C)CCN(C(C)(C)C)CC1.CC1CC12CCN(C(C)(C)C)C2.CC1CCCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)C(C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1(C)C.CC1CCN(C(C)(C)C)CC1C.CCC1CNCCN1C(C)(C)C.CN1CC[C@H](CC(C)(C)C)C1
InChIInChI=1S/C12H23N.C12H25N.3C11H22N2.C11H21N.4C11H23N.C10H20N2.C10H22N2.C10H19N.2C10H21N.C9H20N2/c1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-10(2,3)13-8-5-11(6-9-13)4-7-12-11;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-9-7-11(9)5-6-12(8-11)10(2,3)4;1-10(2,3)12-8-6-11(4,5)7-9-12;1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-6-7-12(10(2)8-9)11(3,4)5;1-10-6-5-8-12(9-7-10)11(2,3)4;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-5-9-8-11-6-7-12(9)10(2,3)4;1-10(2,3)4-7-8-5-11-6-9(7)8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)7-9-5-6-11(4)8-9;1-9(2,3)11-7-4-5-10-6-8-11/h10,13H,4-9H2,1-3H3;10H,7-9H2,1-6H3;2*12H,4-9H2,1-3H3;8-10H,4-7,12H2,1-3H3;9H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9,11H,4-7H2,1-3H3;9,11H,5-8H2,1-4H3;7-9,11H,4-6H2,1-3H3;2*9H,5-8H2,1-4H3;10H,4-8H2,1-3H3/t;;;;;;;;;;8-,9+;;7?,8-,9+;;9-;/m..............1./s1
InChIKeyOGGIIRJOFZBPOL-FHGXMIAUSA-N
XLogP35.34
TPSA155.59 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.83
LogP ≤ 535.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine with MolForge

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Related Compounds

ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159090474
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 159732755
ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;tris(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160318583
Azane;1,3-ditert-butyl-3-azabicyclo[4.1.0]heptane;2,5-ditert-butyl-2-azabicyclo[4.1.0]heptane;3,5-ditert-butyl-3-azabicyclo[4.1.0]heptane;3,6-ditert-butyl-3-azabicyclo[4.1.0]heptane;1,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;5,7-ditert-butyl-5-azaspiro[2.4]heptane;4,6-ditert-butyl-4-azaspiro[2.5]octane;4,7-ditert-butyl-4-azaspiro[2.5]octane;5,7-ditert-butyl-5-azaspiro[2.5]octane;5,8-ditert-butyl-5-azaspiro[2.5]octane;6,8-ditert-butyl-6-azaspiro[2.5]octane;1,3-ditert-butylazetidine;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 164948821
CID 164980719
CID 164980719
5-Tert-butyl-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[4.1.0]heptane;3-tert-butyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-tert-butyl-6-propan-2-yl-2,6-diazaspiro[3.3]heptane;4-tert-butyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;nonakis(2-methylpropane)
CID 165024851
1-Tert-butyl-3-azabicyclo[4.1.0]heptane;2-tert-butyl-2-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[4.1.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-azabicyclo[3.1.0]hexane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-5-azaspiro[2.4]heptane;4-tert-butyl-4-azaspiro[2.5]octane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-4-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;bis(8-tert-butyl-5-azaspiro[2.5]octane);1-tert-butylazepane;bis(1-tert-butylazetidine);1-tert-butylbicyclo[4.1.0]heptane;bis(2-tert-butylbicyclo[4.1.0]heptane);1-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclopentane;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;7-tert-butylspiro[2.5]octane;8-tert-butylspiro[2.5]octane
CID 165050916
2,5-ditert-butyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;bis((1R,6S)-2,5-ditert-butyl-2,5-diazabicyclo[4.1.0]heptane);2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane);2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;4,7-ditert-butyl-4,7-diazaspiro[2.5]octane;bis((2S)-1,4-ditert-butyl-2-methylpiperazine);bis((2R)-1,4-ditert-butyl-2-methylpiperazine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;propane
CID 165096800
CID 168416291
CID 168416291

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The IUPAC name of (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine (CID 159985301) is (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine.
What is the SMILES notation for (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The canonical SMILES for (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine is CC(C)(C)CC1[C@H]2CNC[C@@H]12.CC(C)(C)N1C2CCC1CC(N)C2.CC(C)(C)N1CC2(CCNCC2)C1.CC(C)(C)N1CCC2(CCN2)CC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1C[C@H]2CNC[C@H]2C1.CC(C)(C)NC12CCC(CC1)CC2.CC1(C)CCN(C(C)(C)C)CC1.CC1CC12CCN(C(C)(C)C)C2.CC1CCCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)C(C)C1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1(C)C.CC1CCN(C(C)(C)C)CC1C.CCC1CNCCN1C(C)(C)C.CN1CC[C@H](CC(C)(C)C)C1.
What is the InChIKey of (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
The InChIKey is OGGIIRJOFZBPOL-FHGXMIAUSA-N. The full InChI is InChI=1S/C12H23N.C12H25N.3C11H22N2.C11H21N.4C11H23N.C10H20N2.C10H22N2.C10H19N.2C10H21N.C9H20N2/c1-11(2,3)13-12-7-4-10(5-8-12)6-9-12;1-10-7-8-13(11(2,3)4)9-12(10,5)6;1-10(2,3)13-8-5-11(6-9-13)4-7-12-11;1-10(2,3)13-8-11(9-13)4-6-12-7-5-11;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-9-7-11(9)5-6-12(8-11)10(2,3)4;1-10(2,3)12-8-6-11(4,5)7-9-12;1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-6-7-12(10(2)8-9)11(3,4)5;1-10-6-5-8-12(9-7-10)11(2,3)4;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-5-9-8-11-6-7-12(9)10(2,3)4;1-10(2,3)4-7-8-5-11-6-9(7)8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)7-9-5-6-11(4)8-9;1-9(2,3)11-7-4-5-10-6-8-11/h10,13H,4-9H2,1-3H3;10H,7-9H2,1-6H3;2*12H,4-9H2,1-3H3;8-10H,4-7,12H2,1-3H3;9H,5-8H2,1-4H3;6-9H2,1-5H3;2*9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8-9,11H,4-7H2,1-3H3;9,11H,5-8H2,1-4H3;7-9,11H,4-6H2,1-3H3;2*9H,5-8H2,1-4H3;10H,4-8H2,1-3H3/t;;;;;;;;;;8-,9+;;7?,8-,9+;;9-;/m..............1./s1.
What are the key properties of (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine?
(3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine has a molecular weight of 2714.83 g/mol, XLogP of 35.34, 4 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;8-tert-butyl-8-azabicyclo[3.2.1]octan-3-amine;N-tert-butylbicyclo[2.2.2]octan-1-amine;2-tert-butyl-2,7-diazaspiro[3.5]nonane;7-tert-butyl-1,7-diazaspiro[3.5]nonane;1-tert-butyl-1,4-diazepane;1-tert-butyl-2,4-dimethylpiperidine;1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-2-ethylpiperazine;5-tert-butyl-2-methyl-5-azaspiro[2.4]heptane;1-tert-butyl-4-methylazepane;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3,3,4-trimethylpiperidine;(1R,5S)-6-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexane;(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine is sourced from PubChem (CID 159985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).