(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane

C79H152N6 — CID 157214386

About (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane

(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 157214386) has the molecular formula C79H152N6 and a molecular weight of 1186.13 g/mol. Its IUPAC name is (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane
• PubChem CID: 157214386
• Molecular Formula: C79H152N6
• Molecular Weight: 1186.13 g/mol
• Exact Mass: 1185.21
• IUPAC Name: (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane
• SMILES: CC(C)(C)C1C2CC2(C)CN1C(C)(C)C.CC(C)(C)C1C2CC2CN1C(C)(C)C.CC(C)(C)C1CC2(C)CC2N1C(C)(C)C.CC(C)(C)C1[C@@H]2C[C@@H]2CN1C(C)(C)C.CC(C)(C)C1[C@@H]2C[C@]2(C)CN1C(C)(C)C.C[C@@H]1C[C@@]2(C)C[C@H]2N1C(C)(C)C
• InChI: InChI=1S/3C14H27N.2C13H25N.C11H21N/c2*1-12(2,3)11-10-8-14(10,7)9-15(11)13(4,5)6;1-12(2,3)10-8-14(7)9-11(14)15(10)13(4,5)6;2*1-12(2,3)11-10-7-9(10)8-14(11)13(4,5)6;1-8-6-11(5)7-9(11)12(8)10(2,3)4/h3*10-11H,8-9H2,1-7H3;2*9-11H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3/t10-,11?,14+;;;9-,10-,11?;;8-,9-,11+/m0..1.1/s1
• InChIKey: ASGDEQJAXXGPLW-GDHYKAIVSA-N
• XLogP: 19.73
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.13
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane?

The IUPAC name of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane (CID 157214386) is (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane.

What is the SMILES notation for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane?

The canonical SMILES for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane is CC(C)(C)C1C2CC2(C)CN1C(C)(C)C.CC(C)(C)C1C2CC2CN1C(C)(C)C.CC(C)(C)C1CC2(C)CC2N1C(C)(C)C.CC(C)(C)C1[C@@H]2C[C@@H]2CN1C(C)(C)C.CC(C)(C)C1[C@@H]2C[C@]2(C)CN1C(C)(C)C.C[C@@H]1C[C@@]2(C)C[C@H]2N1C(C)(C)C.

What is the InChIKey of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane?

The InChIKey is ASGDEQJAXXGPLW-GDHYKAIVSA-N. The full InChI is InChI=1S/3C14H27N.2C13H25N.C11H21N/c2*1-12(2,3)11-10-8-14(10,7)9-15(11)13(4,5)6;1-12(2,3)10-8-14(7)9-11(14)15(10)13(4,5)6;2*1-12(2,3)11-10-7-9(10)8-14(11)13(4,5)6;1-8-6-11(5)7-9(11)12(8)10(2,3)4/h3*10-11H,8-9H2,1-7H3;2*9-11H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3/t10-,11?,14+;;;9-,10-,11?;;8-,9-,11+/m0..1.1/s1.

What are the key properties of (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane?

(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 1186.13 g/mol, XLogP of 19.73, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexane;(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-5-methyl-2-azabicyclo[3.1.0]hexane;3,4-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 157214386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).