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

C189H377F2N25O — CID 158412203

IUPAC2-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
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CC2CCNCCC2C1.CC(C)N1CC2CNCC2C1.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2CNCC2CC1.CC(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N.C12H24N2.2C12H23N.3C11H22N2.2C11H21N.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H18N2.C9H20N2.C9H19N.C8H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-9(2)13-5-3-10-7-12-8-11(10)4-6-13;1-9(2)13-7-10-3-5-12-6-4-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-10(2)12-8-7-11(9-12)5-3-4-6-11;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;1-7(2)12-10-3-8-5-11-6-9(8)4-10;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7(2)11-5-8-3-10-4-9(8)6-11;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;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;9-10,12H,4-8H2,1-3H3;2*9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;7-12H,3-6H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyGZLJINLDWIBXMM-UHFFFAOYSA-N
MW3054.26 g/mol
LogP36.65
Rot. Bonds12

About 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

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 (PubChem CID 158412203) has the molecular formula C189H377F2N25O and a molecular weight of 3054.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158412203
Molecular FormulaC189H377F2N25O
Molecular Weight3054.26 g/mol
Exact Mass3052.02
IUPAC Name2-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
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CC2CCNCCC2C1.CC(C)N1CC2CNCC2C1.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2CNCC2CC1.CC(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H25N.C12H24N2.2C12H23N.3C11H22N2.2C11H21N.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H18N2.C9H20N2.C9H19N.C8H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-9(2)13-5-3-10-7-12-8-11(10)4-6-13;1-9(2)13-7-10-3-5-12-6-4-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-10(2)12-8-7-11(9-12)5-3-4-6-11;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;1-7(2)12-10-3-8-5-11-6-9(8)4-10;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7(2)11-5-8-3-10-4-9(8)6-11;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;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;9-10,12H,4-8H2,1-3H3;2*9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;7-12H,3-6H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
InChIKeyGZLJINLDWIBXMM-UHFFFAOYSA-N
XLogP36.65
TPSA209.70 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.26
LogP ≤ 536.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
CID 158722472
CID 158722472
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
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;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[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-azabicyclo[2.2.1]heptane;3-methyl-3-azabicyclo[3.2.1]octane;2-methyl-2-azaspiro[4.4]nonane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;N-methylpiperidin-3-amine;tris(1-methylpiperidine);N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
CID 159368415
3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[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;bis(2-methyl-2-azabicyclo[2.2.1]heptane);3-methyl-3-azabicyclo[3.2.1]octane;2-methyl-2-azaspiro[4.4]nonane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;4-methylmorpholine;N-methylpiperidin-3-amine;bis(1-methylpiperidine);N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
CID 160889417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1(F)F.CC(C)(C)N1CC2CNCC(C1)O2.CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCNC2)CC1.CC(C)(C)N1CCC2CCCC2C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)N1CC2CCCCC2C1.CC(C)N1CC2CCNCCC2C1.CC(C)N1CC2CNCC2C1.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2CNCC2CC1.CC(C)NC1CC2CNCC2C1.CC(C)NC1CCCCC1.CC(C)NC1CCNCC1.CC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 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?
The InChIKey is GZLJINLDWIBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H24N2.2C12H23N.3C11H22N2.2C11H21N.C10H18F2.C10H20N2O.C10H20N2.C10H21N.C10H20.C9H18N2.C9H20N2.C9H19N.C8H18N2/c1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)14-8-5-12(6-9-14)4-7-13-10-12;1-12(2,3)13-8-7-10-5-4-6-11(10)9-13;1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-9(2)13-5-3-10-7-12-8-11(10)4-6-13;1-9(2)13-7-10-3-5-12-6-4-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-10(2)12-8-7-11(9-12)5-3-4-6-11;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;1-7(2)12-10-3-8-5-11-6-9(8)4-10;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7(2)11-5-8-3-10-4-9(8)6-11;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;10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;9-10,12H,4-8H2,1-3H3;2*9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;10H,3-9H2,1-2H3;8H,4-7H2,1-3H3;8-9,11H,4-7H2,1-3H3;7-12H,3-6H2,1-2H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;7-10H,3-6H2,1-2H3;8H,4-7,10H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3054.26 g/mol, XLogP of 36.65, 12 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158412203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).