3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane

C93H178N8 — CID 158090154

IUPAC3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CCNC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2
InChIInChI=1S/2C13H25N.2C12H23N.3C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)10-8-4-5-9(10)12-7-6-8;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyFNZSIMDDIZHXJX-UHFFFAOYSA-N
MW1408.50 g/mol
LogP22.84
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane

3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane (PubChem CID 158090154) has the molecular formula C93H178N8 and a molecular weight of 1408.50 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
PubChem CID158090154
Molecular FormulaC93H178N8
Molecular Weight1408.50 g/mol
Exact Mass1407.42
IUPAC Name3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CCNC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2
InChIInChI=1S/2C13H25N.2C12H23N.3C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)10-8-4-5-9(10)12-7-6-8;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyFNZSIMDDIZHXJX-UHFFFAOYSA-N
XLogP22.84
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.50
LogP ≤ 522.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2-azabicyclo[3.3.1]nonane
CID 157454225
3-Tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;8-tert-butylbicyclo[3.2.1]octane;3-propan-2-yl-3-azabicyclo[3.3.2]decane;2-propan-2-yl-2-azabicyclo[3.3.1]nonane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 157837301
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
CID 158424385
3-Tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
CID 158791969
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azatricyclo[6.2.0.01,4]decane;8-tert-butylbicyclo[3.2.1]octane
CID 159140036
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
CID 160416891
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyltricyclo[4.3.0.01,4]nonane
CID 160484382
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane
CID 160842456
3-Tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;3-tert-butyl-3-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane
CID 161722212
2-Tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;3-tert-butylbicyclo[3.3.2]decane;8-tert-butylbicyclo[3.2.1]octane
CID 161948911
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
CID 162279375
(1S,6R)-3-tert-butyl-3-azabicyclo[4.3.1]decane;3-tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
CID 162279376

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane (CID 158090154) is 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane is CC(C)(C)C1C2CCNC1CC2.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane?
The InChIKey is FNZSIMDDIZHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.2C12H23N.3C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-11(2,3)10-8-4-5-9(10)12-7-6-8;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;8-10,12H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane?
3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane has a molecular weight of 1408.50 g/mol, XLogP of 22.84, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158090154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).