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

C139H275N21O — CID 159141295

About 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

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 (PubChem CID 159141295) has the molecular formula C139H275N21O and a molecular weight of 2256.87 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159141295
• Molecular Formula: C139H275N21O
• Molecular Weight: 2256.87 g/mol
• Exact Mass: 2255.21
• IUPAC Name: 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
• SMILES: CC(C)(C)N1C2CCCC1CNC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1CCC2(CCNCC2)C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCC1CC2.CC(C)(C)N1CCN2CCCCC2C1
• InChI: InChI=1S/C14H27N.4C12H24N2.C12H23N.C11H22N2O.3C11H22N2.C11H21N.C10H20N2/c1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10-14)4-7-13-8-5-12;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-6-8-4-9(7-12)11-5-8/h4-12H2,1-3H3;13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;4-10H2,1-3H3;9-10,12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3
• InChIKey: KICWTYRGWXWGDU-UHFFFAOYSA-N
• XLogP: 23.80
• TPSA: 130.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.87
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)N1C2CCCC1CNC2.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CC2CNC(C2)C1.CC(C)(C)N1CCC2(CCCC2)C1.CC(C)(C)N1CCC2(CCNCC2)C1.CC(C)(C)N1CCC2CNCC2C1.CC(C)(C)N1CCC2COCC(C1)N2.CC(C)(C)N1CCCC2(CCCCC2)C1.CC(C)(C)N1CCCC2CCCN2C1.CC(C)(C)N1CCCC2CCNC2C1.CC(C)(C)N1CCN2CCC1CC2.CC(C)(C)N1CCN2CCCCC2C1.

What is the InChIKey of 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?

The InChIKey is KICWTYRGWXWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.4C12H24N2.C12H23N.C11H22N2O.3C11H22N2.C11H21N.C10H20N2/c1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-11(2,3)14-9-6-12(10-14)4-7-13-8-5-12;1-12(2,3)14-9-5-7-11-6-4-8-13(11)10-14;1-12(2,3)14-8-4-5-10-6-7-13-11(10)9-14;1-12(2,3)14-9-8-13-7-5-4-6-11(13)10-14;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-11(2,3)13-5-4-9-7-14-8-10(6-13)12-9;1-11(2,3)13-9-8-12-6-4-10(13)5-7-12;1-11(2,3)13-5-4-9-6-12-7-10(9)8-13;1-11(2,3)13-9-5-4-6-10(13)8-12-7-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-6-8-4-9(7-12)11-5-8/h4-12H2,1-3H3;13H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11,13H,4-9H2,1-3H3;11H,4-10H2,1-3H3;4-10H2,1-3H3;9-10,12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;8-9,11H,4-7H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 2256.87 g/mol, XLogP of 23.80, 0 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159141295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).