5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine

C194H392F2N28O — CID 158784231

IUPAC5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine
SMILESC.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CCNCCC2C1.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)N1CCC2(CCCN2)CC1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CCNC2C1.CC(C)(C)N1CCC2CNCC2CC1.CC(C)(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N.4C12H24N2.C12H23N.4C11H22N2.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H20N2.C9H19N.C8H18N2.CH4/c1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)14-6-4-10-8-13-9-11(10)5-7-14;1-12(2,3)14-8-10-4-6-13-7-5-11(10)9-14;1-11(2,3)14-9-6-12(7-10-14)5-4-8-13-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2,3)13-10-4-8-6-12-7-9(8)5-10;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-11(2,3)13-7-5-9-4-6-12-10(9)8-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-9(2,3)8-6-4-5-7-10(8,11)12;1-10(2,3)12-6-8-4-11-5-9(7-12)13-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-4-8(10)5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-3-5-9-6-4-8;/h4-11H2,1-3H3;13H,4-10H2,1-3H3;2*10-11,13H,4-9H2,1-3H3;13H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-10,12-13H,4-7H2,1-3H3;12H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;1H4
InChIKeyIRLVLPIEIMALSY-UHFFFAOYSA-N
MW3171.46 g/mol
LogP35.56
Rot. Bonds5

About 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine

5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine (PubChem CID 158784231) has the molecular formula C194H392F2N28O and a molecular weight of 3171.46 g/mol. Its IUPAC name is 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine
PubChem CID158784231
Molecular FormulaC194H392F2N28O
Molecular Weight3171.46 g/mol
Exact Mass3169.15
IUPAC Name5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine
SMILESC.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CCNCCC2C1.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)N1CCC2(CCCN2)CC1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CCNC2C1.CC(C)(C)N1CCC2CNCC2CC1.CC(C)(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N.4C12H24N2.C12H23N.4C11H22N2.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H20N2.C9H19N.C8H18N2.CH4/c1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)14-6-4-10-8-13-9-11(10)5-7-14;1-12(2,3)14-8-10-4-6-13-7-5-11(10)9-14;1-11(2,3)14-9-6-12(7-10-14)5-4-8-13-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2,3)13-10-4-8-6-12-7-9(8)5-10;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-11(2,3)13-7-5-9-4-6-12-10(9)8-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-9(2,3)8-6-4-5-7-10(8,11)12;1-10(2,3)12-6-8-4-11-5-9(7-12)13-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-4-8(10)5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-3-5-9-6-4-8;/h4-11H2,1-3H3;13H,4-10H2,1-3H3;2*10-11,13H,4-9H2,1-3H3;13H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-10,12-13H,4-7H2,1-3H3;12H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;1H4
InChIKeyIRLVLPIEIMALSY-UHFFFAOYSA-N
XLogP35.56
TPSA245.79 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds5
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003171.46
LogP ≤ 535.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Analyze 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

CID 157345790
CID 157345790
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;8-tert-butyl-8-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-propan-2-yl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-propan-2-yl-2-azaspiro[4.4]nonane;N-propan-2-ylcyclohexanamine;2-propan-2-yl-2,8-diazaspiro[4.5]decane;N-propan-2-ylpiperidin-4-amine
CID 157907688
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-4-amine;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-propan-2-yl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;N-propan-2-ylcyclohexanamine;2-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;N-propan-2-ylpiperidin-4-amine
CID 158149327
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;8-tert-butyl-8-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-propan-2-yl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine
CID 158412203
CID 158722472
CID 158722472
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-propan-2-yl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-propan-2-yl-2-azaspiro[4.5]decane;N-propan-2-ylcyclohexanamine;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;N-propan-2-ylpiperidin-4-amine
CID 159438062
CID 159797768
CID 159797768
CID 161227868
CID 161227868
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-propan-2-yl-2-azaspiro[4.5]decane;N-propan-2-ylcyclohexanamine;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;N-propan-2-ylpiperidin-4-amine
CID 161846584
2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;7-tert-butyl-2,7-diazaspiro[3.5]nonane;2-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidin-4-amine;5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-propan-2-yl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-propan-2-yl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-propan-2-yl-2-azaspiro[4.5]decane;N-propan-2-ylcyclohexanamine;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;N-propan-2-ylpiperidin-4-amine
CID 161848257
3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
CID 158645987
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;7-tert-butyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine;5-tert-butyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-tert-butyl-1,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-c][1,3]diazepine;2-tert-butyl-2-azaspiro[4.4]nonane;2-tert-butyl-2-azaspiro[5.5]undecane;4-tert-butyl-1,4-diazabicyclo[3.2.2]nonane;9-tert-butyl-3,9-diazabicyclo[3.3.1]nonane;3-tert-butyl-3,6-diazabicyclo[3.2.1]octane;2-tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-8-oxa-3,10-diazabicyclo[4.3.1]decane
CID 159141295

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine (CID 158784231) is 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine is C.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CCNCC2C1.CC(C)(C)N1CC2CCNCCC2C1.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CC2CNCC2C1.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCCC2)C1.CC(C)(C)N1CCC2(CCCN2)CC1.CC(C)(C)N1CCC2(CCNC2)C1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CCNC2C1.CC(C)(C)N1CCC2CNCC2CC1.CC(C)(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine?
The InChIKey is IRLVLPIEIMALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.4C12H24N2.C12H23N.4C11H22N2.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H20N2.C9H19N.C8H18N2.CH4/c1-12(2,3)14-10-9-13(11-14)7-5-4-6-8-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)14-6-4-10-8-13-9-11(10)5-7-14;1-12(2,3)14-8-10-4-6-13-7-5-11(10)9-14;1-11(2,3)14-9-6-12(7-10-14)5-4-8-13-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2,3)13-10-4-8-6-12-7-9(8)5-10;1-10(2,3)13-7-5-11(9-13)4-6-12-8-11;1-11(2,3)13-7-5-9-4-6-12-10(9)8-13;1-11(2,3)13-7-9-4-5-12-6-10(9)8-13;1-9(2,3)8-6-4-5-7-10(8,11)12;1-10(2,3)12-6-8-4-11-5-9(7-12)13-8;1-10(2,3)12-6-8-4-11-5-9(8)7-12;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-6-4-8(10)5-7-11;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-3-5-9-6-4-8;/h4-11H2,1-3H3;13H,4-10H2,1-3H3;2*10-11,13H,4-9H2,1-3H3;13H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;8-10,12-13H,4-7H2,1-3H3;12H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;1H4.
What are the key properties of 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine?
5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine has a molecular weight of 3171.46 g/mol, XLogP of 35.56, 5 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-tert-butyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine;2-tert-butyl-2-azaspiro[4.5]decane;tert-butylcyclohexane;8-tert-butyl-1,8-diazaspiro[4.5]decane;8-tert-butyl-2,8-diazaspiro[4.5]decane;2-tert-butyl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-3-methylpiperidine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1-tert-butylpiperidin-4-amine;methane;N-propan-2-ylcyclohexanamine;N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 158784231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).