(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))

C86H184N12U2 — CID 160643436

About (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))

(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)) (PubChem CID 160643436) has the molecular formula C86H184N12U2 and a molecular weight of 1862.56 g/mol. Its IUPAC name is (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)).

Molecular Properties

• Compound Name: (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))
• PubChem CID: 160643436
• Molecular Formula: C86H184N12U2
• Molecular Weight: 1862.56 g/mol
• Exact Mass: 1861.58
• IUPAC Name: (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))
• SMILES: C.C.C.C.C.C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1C[N-]2.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1C[N-]2.C[C-](C)C.C[C-](C)C.[U+2].[U+2]
• InChI: InChI=1S/2C14H28N2.2C13H26N2.2C9H17N2.2C4H9.6CH4.2U/c2*1-13(2,3)10-15-8-12-7-11(15)9-16(12)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;2*1-9(2,3)11-6-7-4-8(11)5-10-7;2*1-4(2)3;;;;;;;;/h2*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;2*7-8H,4-6H2,1-3H3;2*1-3H3;6*1H4;;/q;;;;4*-1;;;;;;;2*+2/t2*11-,12-;2*10-,11-;2*7-,8-;;;;;;;;;;/m101010........../s1
• InChIKey: NFIHMQQIXZDUPE-XQEJBASRSA-N
• XLogP: 20.15
• TPSA: 60.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1862.56
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))?

The IUPAC name of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)) (CID 160643436) is (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)).

What is the SMILES notation for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))?

The canonical SMILES for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)) is C.C.C.C.C.C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@@H]2C[C@H]1C[N-]2.CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1C[C@H]2C[C@@H]1C[N-]2.C[C-](C)C.C[C-](C)C.[U+2].[U+2].

What is the InChIKey of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))?

The InChIKey is NFIHMQQIXZDUPE-XQEJBASRSA-N. The full InChI is InChI=1S/2C14H28N2.2C13H26N2.2C9H17N2.2C4H9.6CH4.2U/c2*1-13(2,3)10-15-8-12-7-11(15)9-16(12)14(4,5)6;2*1-12(2,3)14-8-11-7-10(14)9-15(11)13(4,5)6;2*1-9(2,3)11-6-7-4-8(11)5-10-7;2*1-4(2)3;;;;;;;;/h2*11-12H,7-10H2,1-6H3;2*10-11H,7-9H2,1-6H3;2*7-8H,4-6H2,1-3H3;2*1-3H3;6*1H4;;/q;;;;4*-1;;;;;;;2*+2/t2*11-,12-;2*10-,11-;2*7-,8-;;;;;;;;;;/m101010........../s1.

What are the key properties of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+))?

(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)) has a molecular weight of 1862.56 g/mol, XLogP of 20.15, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;(1S,4S)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;methane;bis(2-methylpropane);bis(uranium(2+)) is sourced from PubChem (CID 160643436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).