(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine

C135H260N12 — CID 163439686

IUPAC(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine
SMILESCC(C)C1CC2(CCN1C)CC2.CC(C)[C@H]1CCC(C)(C)CN1C.CC(C)[C@H]1CCC2(CC2)CN1C.CC(C)[C@H]1CCC2(CCC2)CN1C.CC(C)[C@H]1CCC2(CCCC2)CN1C.CC(C)[C@H]1C[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2C[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1[C@H]2[C@@H](CN1C)C2(C)C
InChIInChI=1S/C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)11-5-8-12(6-4-7-12)9-13(11)3;1-9(2)12-7-10-5-4-6-11(10)8-13(12)3;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-7(2)10-9-8(6-12(10)5)11(9,3)4;1-8(2)11-6-9-4-5-10(9)7-12(11)3;1-9(2)10-8-11(4-5-11)6-7-12(10)3;1-9(2)10-4-5-11(6-7-11)8-12(10)3;1-8(2)11-10-6-4-5-9(10)7-12(11)3;1-9(2)10-6-7-11(3,4)8-12(10)5;1-7(2)10-5-8-4-9(8)6-11(10)3;1-7(2)10-9-5-4-8(9)6-11(10)3/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-12H,4-8H2,1-3H3;7-10H,6H2,1-5H3;8-11H,4-7H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;9-10H,6-8H2,1-5H3;2*7-10H,4-6H2,1-3H3/t12-;11-;10-,11+,12+;10-,11-,12+;8-,9-,10+;9-,10+,11+;;10-;9-,10-,11+;10-;8-,9+,10+;8-,9-,10+/m110110.11101/s1
InChIKeyAXLRHSVYZBRCGX-DASKBGCUSA-N
MW2051.65 g/mol
LogP30.47
Rot. Bonds12

About (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine

(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine (PubChem CID 163439686) has the molecular formula C135H260N12 and a molecular weight of 2051.65 g/mol. Its IUPAC name is (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine
PubChem CID163439686
Molecular FormulaC135H260N12
Molecular Weight2051.65 g/mol
Exact Mass2050.07
IUPAC Name(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine
SMILESCC(C)C1CC2(CCN1C)CC2.CC(C)[C@H]1CCC(C)(C)CN1C.CC(C)[C@H]1CCC2(CC2)CN1C.CC(C)[C@H]1CCC2(CCC2)CN1C.CC(C)[C@H]1CCC2(CCCC2)CN1C.CC(C)[C@H]1C[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2C[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1[C@H]2[C@@H](CN1C)C2(C)C
InChIInChI=1S/C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)11-5-8-12(6-4-7-12)9-13(11)3;1-9(2)12-7-10-5-4-6-11(10)8-13(12)3;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-7(2)10-9-8(6-12(10)5)11(9,3)4;1-8(2)11-6-9-4-5-10(9)7-12(11)3;1-9(2)10-8-11(4-5-11)6-7-12(10)3;1-9(2)10-4-5-11(6-7-11)8-12(10)3;1-8(2)11-10-6-4-5-9(10)7-12(11)3;1-9(2)10-6-7-11(3,4)8-12(10)5;1-7(2)10-5-8-4-9(8)6-11(10)3;1-7(2)10-9-5-4-8(9)6-11(10)3/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-12H,4-8H2,1-3H3;7-10H,6H2,1-5H3;8-11H,4-7H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;9-10H,6-8H2,1-5H3;2*7-10H,4-6H2,1-3H3/t12-;11-;10-,11+,12+;10-,11-,12+;8-,9-,10+;9-,10+,11+;;10-;9-,10-,11+;10-;8-,9+,10+;8-,9-,10+/m110110.11101/s1
InChIKeyAXLRHSVYZBRCGX-DASKBGCUSA-N
XLogP30.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.65
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

3,3-difluoro-1-propan-2-ylpiperidine;4,4-difluoro-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylazepane;1-propan-2-ylpiperidine
CID 161070680
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 157947463
CID 157947463
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;tris((3S)-3-methyl-1-propan-2-ylpiperidine);tris((3R)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;3-propan-2-yl-3-azabicyclo[3.2.0]heptane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine
CID 158455618
1,5-Di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,6-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane;3,7-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,5-di(propan-2-yl)-5-azaspiro[2.4]heptane;2,6-di(propan-2-yl)-6-azaspiro[3.4]octane;3,6-di(propan-2-yl)-6-azaspiro[3.4]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.0]heptane;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;1-propan-2-yl-3-(1-propan-2-ylcyclopropyl)pyrrolidine
CID 159320515
CID 163676875
CID 163676875
CID 163832614
CID 163832614
(3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(4aS,8aS)-2-methyl-3-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(1R,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1R,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;1,5,5-trimethyl-2-propan-2-ylpiperidine
CID 167702395
(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(3R,4aS,8aS)-2-methyl-3-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine
CID 167702396

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine?
The IUPAC name of (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine (CID 163439686) is (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine.
What is the SMILES notation for (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine?
The canonical SMILES for (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine is CC(C)C1CC2(CCN1C)CC2.CC(C)[C@H]1CCC(C)(C)CN1C.CC(C)[C@H]1CCC2(CC2)CN1C.CC(C)[C@H]1CCC2(CCC2)CN1C.CC(C)[C@H]1CCC2(CCCC2)CN1C.CC(C)[C@H]1C[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1C[C@@H]2C[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CCC[C@@H]2CN1C.CC(C)[C@H]1[C@@H]2CC[C@@H]2CN1C.CC(C)[C@H]1[C@H]2[C@@H](CN1C)C2(C)C.
What is the InChIKey of (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine?
The InChIKey is AXLRHSVYZBRCGX-DASKBGCUSA-N. The full InChI is InChI=1S/C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)11-5-8-12(6-4-7-12)9-13(11)3;1-9(2)12-7-10-5-4-6-11(10)8-13(12)3;1-9(2)12-11-7-5-4-6-10(11)8-13(12)3;1-7(2)10-9-8(6-12(10)5)11(9,3)4;1-8(2)11-6-9-4-5-10(9)7-12(11)3;1-9(2)10-8-11(4-5-11)6-7-12(10)3;1-9(2)10-4-5-11(6-7-11)8-12(10)3;1-8(2)11-10-6-4-5-9(10)7-12(11)3;1-9(2)10-6-7-11(3,4)8-12(10)5;1-7(2)10-5-8-4-9(8)6-11(10)3;1-7(2)10-9-5-4-8(9)6-11(10)3/h11-12H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;2*9-12H,4-8H2,1-3H3;7-10H,6H2,1-5H3;8-11H,4-7H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;9-10H,6-8H2,1-5H3;2*7-10H,4-6H2,1-3H3/t12-;11-;10-,11+,12+;10-,11-,12+;8-,9-,10+;9-,10+,11+;;10-;9-,10-,11+;10-;8-,9+,10+;8-,9-,10+/m110110.11101/s1.
What are the key properties of (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine?
(3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine has a molecular weight of 2051.65 g/mol, XLogP of 30.47, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-2-methyl-3-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3R,4aS,7aS)-2-methyl-3-propan-2-yl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;(1S,3aS,7aR)-2-methyl-1-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;(1R,2S,5S)-3-methyl-2-propan-2-yl-3-azabicyclo[3.2.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane;(1S,4R,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.2.0]octane;(8R)-7-methyl-8-propan-2-yl-7-azaspiro[4.5]decane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[3.5]nonane;(6R)-5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane;(7R)-6-methyl-7-propan-2-yl-6-azaspiro[2.5]octane;(1S,2S,5R)-3,6,6-trimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2R)-1,5,5-trimethyl-2-propan-2-ylpiperidine is sourced from PubChem (CID 163439686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).