2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium

C100H197N15ORe2Rf-2 — CID 157255339

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium
SMILESC.C.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1C2CCC1CC([NH-])C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C[N-]2.CC(C)(C)N1CC2CCCC2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.[Re].[Re].[Rf]
InChIInChI=1S/C13H23NO.3C11H22N2.C11H21N2.C11H21N.C10H20N2.C10H19N2.C10H19N.2CH4.2Re.Rf/c1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-7-8-4-5-9(11)6-8;;;;;/h10-12,15H,1,5-8H2,2-4H3;3*9-10H,5-8H2,1-4H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*1H4;;;/q;;;;-1;;;-1;;;;;;
InChIKeyNXVHNLUTUVNRAC-UHFFFAOYSA-N
MW2265.19 g/mol
LogP19.57
Rot. Bonds1

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium (PubChem CID 157255339) has the molecular formula C100H197N15ORe2Rf-2 and a molecular weight of 2265.19 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium.

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium
PubChem CID157255339
Molecular FormulaC100H197N15ORe2Rf-2
Molecular Weight2265.19 g/mol
Exact Mass2265.62
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium
SMILESC.C.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1C2CCC1CC([NH-])C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C[N-]2.CC(C)(C)N1CC2CCCC2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.[Re].[Re].[Rf]
InChIInChI=1S/C13H23NO.3C11H22N2.C11H21N2.C11H21N.C10H20N2.C10H19N2.C10H19N.2CH4.2Re.Rf/c1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-7-8-4-5-9(11)6-8;;;;;/h10-12,15H,1,5-8H2,2-4H3;3*9-10H,5-8H2,1-4H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*1H4;;;/q;;;;-1;;;-1;;;;;;
InChIKeyNXVHNLUTUVNRAC-UHFFFAOYSA-N
XLogP19.57
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002265.19
LogP ≤ 519.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium (CID 157255339) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium.
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium is C.C.C=C(O)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1C2CCC1CC([NH-])C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C[N-]2.CC(C)(C)N1CC2CCCC2C1.CN1C2CCC1CN(C(C)(C)C)C2.CN1CC2CC1CN2C(C)(C)C.CN1CC2CCC(C1)N2C(C)(C)C.CN1CC2CN(C(C)(C)C)CC2C1.[Re].[Re].[Rf].
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium?
The InChIKey is NXVHNLUTUVNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.3C11H22N2.C11H21N2.C11H21N.C10H20N2.C10H19N2.C10H19N.2CH4.2Re.Rf/c1-9(15)10-7-11-5-6-12(8-10)14(11)13(2,3)4;1-11(2,3)13-7-9-5-12(4)6-10(9)8-13;1-11(2,3)13-7-9-5-6-10(8-13)12(9)4;1-11(2,3)13-9-5-6-10(13)8-12(4)7-9;1-11(2,3)13-9-4-5-10(13)7-8(12)6-9;1-11(2,3)12-7-9-5-4-6-10(9)8-12;1-10(2,3)12-7-8-5-9(12)6-11(8)4;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)11-7-8-4-5-9(11)6-8;;;;;/h10-12,15H,1,5-8H2,2-4H3;3*9-10H,5-8H2,1-4H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;2*1H4;;;/q;;;;-1;;;-1;;;;;;.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium has a molecular weight of 2265.19 g/mol, XLogP of 19.57, 1 rotatable bonds, 1 hydrogen bond donors, and 14 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;2-tert-butyl-2-aza-5-azanidabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)azanide;1-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol;5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;rhenium;rutherfordium is sourced from PubChem (CID 157255339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).