2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)

C176H394N22O12 — CID 158460347

About 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)

2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine) (PubChem CID 158460347) has the molecular formula C176H394N22O12 and a molecular weight of 3011.23 g/mol. Its IUPAC name is 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine).

Molecular Properties

• Compound Name: 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)
• PubChem CID: 158460347
• Molecular Formula: C176H394N22O12
• Molecular Weight: 3011.23 g/mol
• Exact Mass: 3009.09
• IUPAC Name: 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)
• SMILES: C1CCNC1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCCOC1.C1CNCCOC1.C1COCCN1.C1COCCN1.C1OC2CNC1C2.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@@H]1COC[C@@H](C)N1.C[C@@H]1COC[C@@H](C)N1C(C)(C)C.C[C@@H]1COC[C@H](C)N1.C[C@@H]1COC[C@H](C)N1C(C)(C)C
• InChI: InChI=1S/3C10H21NO.C9H18N2.C9H17NO.C9H19N.C8H18N2.3C6H13NO.C5H9NO.2C5H11NO.C5H11N.3C5H12.C4H10N2.2C4H9NO.2C4H9N.8C4H10.2C3H8/c2*1-8-6-12-7-9(2)11(8)10(3,4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;2*1-5-3-8-4-6(2)7-5;1-5-3-7-4-6(2)8-5;1-4-3-7-5(1)2-6-4;2*1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;3*1-5(2,3)4;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;8*1-4(2)3;2*1-3-2/h3*8-9H,6-7H2,1-5H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;3*5-7H,3-4H2,1-2H3;4-6H,1-3H2;2*6H,1-5H2;6H,1-5H2;3*1-4H3;5-6H,1-4H2;2*5H,1-4H2;2*5H,1-4H2;8*4H,1-3H3;2*3H2,1-2H3/t8-,9+;8-,9-;8-,9+;;;;;5-,6+;5-,6-;5-,6+;;;;;;;;;;;;;;;;;;;;;;/m.1......1......................./s1
• InChIKey: HFCALMJGEWAWLJ-AUKAPPKRSA-N
• XLogP: 33.80
• TPSA: 313.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3011.23
LogP ≤ 5	33.80
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)?

The IUPAC name of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine) (CID 158460347) is 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine).

What is the SMILES notation for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)?

The canonical SMILES for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine) is C1CCNC1.C1CCNC1.C1CCNCC1.C1CNCCN1.C1CNCCOC1.C1CNCCOC1.C1COCCN1.C1COCCN1.C1OC2CNC1C2.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CC1CO2.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC.CCC.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@@H]1COC[C@@H](C)N1.C[C@@H]1COC[C@@H](C)N1C(C)(C)C.C[C@@H]1COC[C@H](C)N1.C[C@@H]1COC[C@H](C)N1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)?

The InChIKey is HFCALMJGEWAWLJ-AUKAPPKRSA-N. The full InChI is InChI=1S/3C10H21NO.C9H18N2.C9H17NO.C9H19N.C8H18N2.3C6H13NO.C5H9NO.2C5H11NO.C5H11N.3C5H12.C4H10N2.2C4H9NO.2C4H9N.8C4H10.2C3H8/c2*1-8-6-12-7-9(2)11(8)10(3,4)5;1-8-6-11(10(3,4)5)7-9(2)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;2*1-5-3-8-4-6(2)7-5;1-5-3-7-4-6(2)8-5;1-4-3-7-5(1)2-6-4;2*1-2-6-3-5-7-4-1;1-2-4-6-5-3-1;3*1-5(2,3)4;1-2-6-4-3-5-1;2*1-3-6-4-2-5-1;2*1-2-4-5-3-1;8*1-4(2)3;2*1-3-2/h3*8-9H,6-7H2,1-5H3;7-8,10H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;3*5-7H,3-4H2,1-2H3;4-6H,1-3H2;2*6H,1-5H2;6H,1-5H2;3*1-4H3;5-6H,1-4H2;2*5H,1-4H2;2*5H,1-4H2;8*4H,1-3H3;2*3H2,1-2H3/t8-,9+;8-,9-;8-,9+;;;;;5-,6+;5-,6-;5-,6+;;;;;;;;;;;;;;;;;;;;;;/m.1......1......................./s1.

What are the key properties of 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine)?

2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine) has a molecular weight of 3011.23 g/mol, XLogP of 33.80, 0 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;(3S,5R)-4-tert-butyl-3,5-dimethylmorpholine;(3R,5R)-4-tert-butyl-3,5-dimethylmorpholine;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;(2R,6S)-2,6-dimethylmorpholine;(3R,5R)-3,5-dimethylmorpholine;(3S,5R)-3,5-dimethylmorpholine;tris(2,2-dimethylpropane);octakis(2-methylpropane);morpholine;2-oxa-5-azabicyclo[2.2.1]heptane;bis(1,4-oxazepane);piperazine;piperidine;propane;bis(pyrrolidine) is sourced from PubChem (CID 158460347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).