[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane

C90H189FN8O — CID 158159654

IUPAC[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1[C@@H]2C[C@@H]2CN1C(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.CC1CC2(CN3CCCCC3)CC2N1C(C)(C)C.C[C@@H]1C[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2CC2CN1C(C)(C)C.[2H]C([2H])([2H])[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C19H32N2O.C16H30N2.C11H21N.2C10H19N.C9H18FN.5C2H6.5CH4/c1-18(2,3)16-14-8-11(14)9-20(16)17(22)15-13-7-12(13)10-21(15)19(4,5)6;1-13-10-16(12-17-8-6-5-7-9-17)11-14(16)18(13)15(2,3)4;1-8-6-11(5)7-9(11)12(8)10(2,3)4;2*1-7-9-5-8(9)6-11(7)10(2,3)4;1-7-5-8(10)6-11(7)9(2,3)4;5*1-2;;;;;/h11-16H,7-10H2,1-6H3;13-14H,5-12H2,1-4H3;8-9H,6-7H2,1-5H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5*1-2H3;5*1H4/t11-,12-,13-,14-,15+,16?;;8-,9-,11+;7-,8?,9-;7-,8-,9+;7-,8-;;;;;;;;;;/m1.1111........../s1/i;;5D3;;;;;;;;;;;;;
InChIKeyFWCPKHVXQMAEFP-HBDKLXJGSA-N
MW1421.57 g/mol
LogP23.56
Rot. Bonds4

About [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane

[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane (PubChem CID 158159654) has the molecular formula C90H189FN8O and a molecular weight of 1421.57 g/mol. Its IUPAC name is [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane.

Molecular Properties

Compound Name[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane
PubChem CID158159654
Molecular FormulaC90H189FN8O
Molecular Weight1421.57 g/mol
Exact Mass1420.52
IUPAC Name[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1[C@@H]2C[C@@H]2CN1C(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.CC1CC2(CN3CCCCC3)CC2N1C(C)(C)C.C[C@@H]1C[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2CC2CN1C(C)(C)C.[2H]C([2H])([2H])[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C19H32N2O.C16H30N2.C11H21N.2C10H19N.C9H18FN.5C2H6.5CH4/c1-18(2,3)16-14-8-11(14)9-20(16)17(22)15-13-7-12(13)10-21(15)19(4,5)6;1-13-10-16(12-17-8-6-5-7-9-17)11-14(16)18(13)15(2,3)4;1-8-6-11(5)7-9(11)12(8)10(2,3)4;2*1-7-9-5-8(9)6-11(7)10(2,3)4;1-7-5-8(10)6-11(7)9(2,3)4;5*1-2;;;;;/h11-16H,7-10H2,1-6H3;13-14H,5-12H2,1-4H3;8-9H,6-7H2,1-5H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5*1-2H3;5*1H4/t11-,12-,13-,14-,15+,16?;;8-,9-,11+;7-,8?,9-;7-,8-,9+;7-,8-;;;;;;;;;;/m1.1111........../s1/i;;5D3;;;;;;;;;;;;;
InChIKeyFWCPKHVXQMAEFP-HBDKLXJGSA-N
XLogP23.56
TPSA42.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.57
LogP ≤ 523.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane with MolForge

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Related Compounds

methane;N-methyl-1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;N-methyl-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine;(4-propan-2-ylpiperazin-1-yl)-(1-propan-2-ylpiperidin-4-yl)methanone;1-(4-propan-2-ylpiperazin-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-[[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]methyl]piperazine;1-propan-2-yl-N-[1-(1-propan-2-ylpyrrolidin-3-yl)cyclopropyl]piperidin-4-amine;1-propan-2-yl-4-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]piperazine;1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 157325557

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane?
The IUPAC name of [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane (CID 158159654) is [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane.
What is the SMILES notation for [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane?
The canonical SMILES for [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)C1[C@@H]2C[C@@H]2CN1C(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.CC1CC2(CN3CCCCC3)CC2N1C(C)(C)C.C[C@@H]1C[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@@H]2C[C@@H]2CN1C(C)(C)C.C[C@@H]1[C@H]2CC2CN1C(C)(C)C.[2H]C([2H])([2H])[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2.
What is the InChIKey of [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane?
The InChIKey is FWCPKHVXQMAEFP-HBDKLXJGSA-N. The full InChI is InChI=1S/C19H32N2O.C16H30N2.C11H21N.2C10H19N.C9H18FN.5C2H6.5CH4/c1-18(2,3)16-14-8-11(14)9-20(16)17(22)15-13-7-12(13)10-21(15)19(4,5)6;1-13-10-16(12-17-8-6-5-7-9-17)11-14(16)18(13)15(2,3)4;1-8-6-11(5)7-9(11)12(8)10(2,3)4;2*1-7-9-5-8(9)6-11(7)10(2,3)4;1-7-5-8(10)6-11(7)9(2,3)4;5*1-2;;;;;/h11-16H,7-10H2,1-6H3;13-14H,5-12H2,1-4H3;8-9H,6-7H2,1-5H3;2*7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5*1-2H3;5*1H4/t11-,12-,13-,14-,15+,16?;;8-,9-,11+;7-,8?,9-;7-,8-,9+;7-,8-;;;;;;;;;;/m1.1111........../s1/i;;5D3;;;;;;;;;;;;;.
What are the key properties of [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane?
[(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane has a molecular weight of 1421.57 g/mol, XLogP of 23.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-3-tert-butyl-3-azabicyclo[3.1.0]hexan-2-yl]-[(1R,5S)-2-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidine;(1S,2R)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;(1R,2R,5S)-3-tert-butyl-2-methyl-3-azabicyclo[3.1.0]hexane;2-tert-butyl-3-methyl-5-(piperidin-1-ylmethyl)-2-azabicyclo[3.1.0]hexane;(1R,3R,5R)-2-tert-butyl-3-methyl-5-(trideuteriomethyl)-2-azabicyclo[3.1.0]hexane;ethane;methane is sourced from PubChem (CID 158159654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).