(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

C157H302N14 — CID 167702395

IUPAC(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
SMILESCC(C)C1CC2(CCN1C)CC2.CC(C)C1CCC(C)(C)CN1C.CC(C)C1CCC2(CC2)CN1C.CC(C)C1CCC2(CCC2)CN1C.CC(C)C1CCC2(CCCC2)CN1C.CC(C)C1C[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CC[C@@H]2CN1C.CC(C)C1C[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1[C@@H]2CCC[C@@H]2CN1C.CC(C)C1[C@@H]2CC[C@@H]2CN1C.CC(C)C1[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@H]2[C@@H](CN1C)C2(C)C
InChIInChI=1S/2C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N.C9H17N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)3;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;1-6(2)9-8-4-7(8)5-10(9)3/h11-12H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;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;6-9H,4-5H2,1-3H3/t;11-,12+,13?;;10-,11+,12?;10-,11-,12?;8-,9-,10?;9-,10+,11?;;;9-,10-,11?;;8-,9+,10?;8-,9-,10?;7-,8-,9?/m.0.0110..1.011/s1
InChIKeyYPAQUUJGMWSJIJ-AJAYRVCHSA-N
MW2386.24 g/mol
LogP35.21
Rot. Bonds14

About (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

(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 (PubChem CID 167702395) has the molecular formula C157H302N14 and a molecular weight of 2386.24 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167702395
Molecular FormulaC157H302N14
Molecular Weight2386.24 g/mol
Exact Mass2384.41
IUPAC Name(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
SMILESCC(C)C1CC2(CCN1C)CC2.CC(C)C1CCC(C)(C)CN1C.CC(C)C1CCC2(CC2)CN1C.CC(C)C1CCC2(CCC2)CN1C.CC(C)C1CCC2(CCCC2)CN1C.CC(C)C1C[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CC[C@@H]2CN1C.CC(C)C1C[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1[C@@H]2CCC[C@@H]2CN1C.CC(C)C1[C@@H]2CC[C@@H]2CN1C.CC(C)C1[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@H]2[C@@H](CN1C)C2(C)C
InChIInChI=1S/2C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N.C9H17N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)3;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;1-6(2)9-8-4-7(8)5-10(9)3/h11-12H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;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;6-9H,4-5H2,1-3H3/t;11-,12+,13?;;10-,11+,12?;10-,11-,12?;8-,9-,10?;9-,10+,11?;;;9-,10-,11?;;8-,9+,10?;8-,9-,10?;7-,8-,9?/m.0.0110..1.011/s1
InChIKeyYPAQUUJGMWSJIJ-AJAYRVCHSA-N
XLogP35.21
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.24
LogP ≤ 535.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (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 with MolForge

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Related Compounds

CID 163625794
CID 163625794
CID 164989619
CID 164989619
CID 167574837
CID 167574837
CID 157947463
CID 157947463
1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;bis(2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole);2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole;1-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepine;7-tert-butyl-2,3,4,5,5a,6,8,8a-octahydro-1H-pyrrolo[3,4-b]azepine;1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;bis(6-tert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine);3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3-azabicyclo[3.1.0]hexan-1-amine;3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine;3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptane;methane
CID 160227762
(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
CID 163676875
CID 163676875
CID 163832614
CID 163832614
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C1CC2(CCN1C)CC2.CC(C)C1CCC(C)(C)CN1C.CC(C)C1CCC2(CC2)CN1C.CC(C)C1CCC2(CCC2)CN1C.CC(C)C1CCC2(CCCC2)CN1C.CC(C)C1C[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CCC[C@@H]2CN1C.CC(C)C1C[C@@H]2CC[C@@H]2CN1C.CC(C)C1C[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@@H]2CCCC[C@@H]2CN1C.CC(C)C1[C@@H]2CCC[C@@H]2CN1C.CC(C)C1[C@@H]2CC[C@@H]2CN1C.CC(C)C1[C@@H]2C[C@@H]2CN1C.CC(C)C1[C@H]2[C@@H](CN1C)C2(C)C.
What is the InChIKey of (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?
The InChIKey is YPAQUUJGMWSJIJ-AJAYRVCHSA-N. The full InChI is InChI=1S/2C13H25N.3C12H23N.5C11H21N.C11H23N.2C10H19N.C9H17N/c1-11(2)12-6-9-13(10-14(12)3)7-4-5-8-13;1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)3;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;1-6(2)9-8-4-7(8)5-10(9)3/h11-12H,4-10H2,1-3H3;10-13H,4-9H2,1-3H3;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;6-9H,4-5H2,1-3H3/t;11-,12+,13?;;10-,11+,12?;10-,11-,12?;8-,9-,10?;9-,10+,11?;;;9-,10-,11?;;8-,9+,10?;8-,9-,10?;7-,8-,9?/m.0.0110..1.011/s1.
What are the key properties of (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?
(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 has a molecular weight of 2386.24 g/mol, XLogP of 35.21, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167702395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).