(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane

C184H364N25+ — CID 160751121

IUPAC(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)CCCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)CCN1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CC2(CC(CN3CC4(C3)CN(C(C)(C)C)C4)C2)C1.CC(C)(C)N1CCC(CN2CC3(CCN(C(C)(C)C)C3)C2)CC1.CC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2C[C@@]3(C)CN(C(C)(C)C)C[C@@]3(C)C2)CC1.CC(C)(C)NCC1CC[N+]2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C22H43N3.C20H37N3.2C20H39N3.C18H36N2.C17H36N3.3C17H34N2.C16H32N2/c1-19(2,3)24-11-9-18(10-12-24)13-23-14-21(7)16-25(20(4,5)6)17-22(21,8)15-23;1-17(2,3)22-12-19(13-22)7-16(8-19)9-21-10-20(11-21)14-23(15-20)18(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-14-20(15-21)9-12-23(16-20)19(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6;1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6;1-16(2,3)18-13-15-7-10-20(14-15)11-8-19(9-12-20)17(4,5)6;1-15(2,3)13-18-10-7-17(8-11-18)9-12-19(14-17)16(4,5)6;1-15(2,3)7-10-18-11-8-17(13-18)9-12-19(14-17)16(4,5)6;1-15(2,3)8-7-10-18-12-17(13-18)9-11-19(14-17)16(4,5)6;1-14(2,3)7-9-17-11-16(12-17)8-10-18(13-16)15(4,5)6/h18H,9-17H2,1-8H3;16H,7-15H2,1-6H3;2*17H,7-16H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;3*7-14H2,1-6H3;7-13H2,1-6H3/q;;;;;+1;;;;/t21-,22+;;;;;;;;;
InChIKeyRWVHTWPZSGATTE-BTSPUEQTSA-N
MW2927.11 g/mol
LogP33.88
Rot. Bonds20

About (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane

(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane (PubChem CID 160751121) has the molecular formula C184H364N25+ and a molecular weight of 2927.11 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane
PubChem CID160751121
Molecular FormulaC184H364N25+
Molecular Weight2927.11 g/mol
Exact Mass2924.92
IUPAC Name(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)CCCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)CCN1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CC2(CC(CN3CC4(C3)CN(C(C)(C)C)C4)C2)C1.CC(C)(C)N1CCC(CN2CC3(CCN(C(C)(C)C)C3)C2)CC1.CC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2C[C@@]3(C)CN(C(C)(C)C)C[C@@]3(C)C2)CC1.CC(C)(C)NCC1CC[N+]2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C22H43N3.C20H37N3.2C20H39N3.C18H36N2.C17H36N3.3C17H34N2.C16H32N2/c1-19(2,3)24-11-9-18(10-12-24)13-23-14-21(7)16-25(20(4,5)6)17-22(21,8)15-23;1-17(2,3)22-12-19(13-22)7-16(8-19)9-21-10-20(11-21)14-23(15-20)18(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-14-20(15-21)9-12-23(16-20)19(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6;1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6;1-16(2,3)18-13-15-7-10-20(14-15)11-8-19(9-12-20)17(4,5)6;1-15(2,3)13-18-10-7-17(8-11-18)9-12-19(14-17)16(4,5)6;1-15(2,3)7-10-18-11-8-17(13-18)9-12-19(14-17)16(4,5)6;1-15(2,3)8-7-10-18-12-17(13-18)9-11-19(14-17)16(4,5)6;1-14(2,3)7-9-17-11-16(12-17)8-10-18(13-16)15(4,5)6/h18H,9-17H2,1-8H3;16H,7-15H2,1-6H3;2*17H,7-16H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;3*7-14H2,1-6H3;7-13H2,1-6H3/q;;;;;+1;;;;/t21-,22+;;;;;;;;;
InChIKeyRWVHTWPZSGATTE-BTSPUEQTSA-N
XLogP33.88
TPSA86.55 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002927.11
LogP ≤ 533.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2R,6S)-4-tert-butyl-6-[[2-[2,3-dimethyl-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-5-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-4-yl]methyl]piperazin-2-yl]methyl]-2-[3-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-methyl-2,7-diazaspiro[3.5]nonane
CID 146201388
2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine;(1-tert-butylpiperidin-4-yl)methanamine;1-(1-tert-butylpiperidin-4-yl)-N-methylmethanamine;N,2-dimethyl-N-(piperidin-4-ylmethyl)propan-2-amine;2-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 157518255
3-Tert-butyl-3-azabicyclo[3.1.0]hexane;4-tert-butyl-4-azaspiro[2.4]heptane;5-tert-butyl-5-azaspiro[2.4]heptane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[3.4]octane;6-tert-butyl-2,6-diazaspiro[3.4]octane;3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane;3-tert-butyl-2-ethyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-6-methyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-methyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-7-methyl-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 157561814
CID 157797983
CID 157797983
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);2,9-dimethyl-2,9-diazaspiro[4.5]decane;bis(2,5-dimethyl-2,5-diazaspiro[3.5]nonane);bis(2,5-dimethyl-2,5-diazaspiro[3.4]octane);bis(2,7-dimethyl-2,7-diazaspiro[3.4]octane)
CID 157852705
(1S,4S)-2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;(1R,5S)-6-tert-butyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;ethane;methane;tris(2-methylpropane);2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 158082119
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 158524617
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;3,7-di(propan-2-yl)-3,7-diazabicyclo[4.2.0]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;2,8-di(propan-2-yl)-2,8-diazaspiro[5.5]undecane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 159240492
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-(2,2-dimethylpropyl)pyrrolidine
CID 159268262
9-Tert-butyl-2-methyl-1,9-diazaspiro[4.5]decane;2-methyl-7-propan-2-yl-7-azaspiro[3.5]nonane;1-methyl-8-propan-2-yl-1,8-diazaspiro[4.5]decane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane;6-methyl-2-propan-2-yl-2,6-diazaspiro[4.5]decane;8-methyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;9-methyl-2-propan-2-yl-2,9-diazaspiro[4.5]decane;1-methyl-7-propan-2-yl-1,7-diazaspiro[3.5]nonane;1-methyl-8-propan-2-yl-1,8-diazaspiro[3.5]nonane;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 160238079
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 160303741

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane (CID 160751121) is (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane is CC(C)(C)CCCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CCN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)CCN1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)CN1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CC2(CC(CN3CC4(C3)CN(C(C)(C)C)C4)C2)C1.CC(C)(C)N1CCC(CN2CC3(CCN(C(C)(C)C)C3)C2)CC1.CC(C)(C)N1CCC(CN2CCC3(C2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2C[C@@]3(C)CN(C(C)(C)C)C[C@@]3(C)C2)CC1.CC(C)(C)NCC1CC[N+]2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is RWVHTWPZSGATTE-BTSPUEQTSA-N. The full InChI is InChI=1S/C22H43N3.C20H37N3.2C20H39N3.C18H36N2.C17H36N3.3C17H34N2.C16H32N2/c1-19(2,3)24-11-9-18(10-12-24)13-23-14-21(7)16-25(20(4,5)6)17-22(21,8)15-23;1-17(2,3)22-12-19(13-22)7-16(8-19)9-21-10-20(11-21)14-23(15-20)18(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-14-20(15-21)9-12-23(16-20)19(4,5)6;1-18(2,3)22-10-7-17(8-11-22)13-21-12-9-20(14-21)15-23(16-20)19(4,5)6;1-16(2,3)7-11-19-12-8-18(9-13-19)10-14-20(15-18)17(4,5)6;1-16(2,3)18-13-15-7-10-20(14-15)11-8-19(9-12-20)17(4,5)6;1-15(2,3)13-18-10-7-17(8-11-18)9-12-19(14-17)16(4,5)6;1-15(2,3)7-10-18-11-8-17(13-18)9-12-19(14-17)16(4,5)6;1-15(2,3)8-7-10-18-12-17(13-18)9-11-19(14-17)16(4,5)6;1-14(2,3)7-9-17-11-16(12-17)8-10-18(13-16)15(4,5)6/h18H,9-17H2,1-8H3;16H,7-15H2,1-6H3;2*17H,7-16H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;3*7-14H2,1-6H3;7-13H2,1-6H3/q;;;;;+1;;;;/t21-,22+;;;;;;;;;.
What are the key properties of (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane?
(3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 2927.11 g/mol, XLogP of 33.88, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;N-[(8-tert-butyl-8-aza-5-azoniaspiro[4.5]decan-3-yl)methyl]-2-methylpropan-2-amine;2-tert-butyl-6-[(2-tert-butyl-2-azaspiro[3.3]heptan-6-yl)methyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[4.4]nonane;7-tert-butyl-2-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane;7-tert-butyl-2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.4]octane;2-tert-butyl-8-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 160751121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).