bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine

C107H203N5 — CID 165102353

IUPACbis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
SMILESCC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1
InChIInChI=1S/2C12H22.2C11H21N.2C11H20.2C10H19N.C10H20.C9H19N/c1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;2*1-11(2,3)10-7-8-4-5-9(10)6-8;2*1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h2*9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3
InChIKeyYNWPBVTVACXKCG-UHFFFAOYSA-N
MW1559.84 g/mol
LogP30.40
Rot. Bonds

About bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine

bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine (PubChem CID 165102353) has the molecular formula C107H203N5 and a molecular weight of 1559.84 g/mol. Its IUPAC name is bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine.

Molecular Properties

Compound Namebis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
PubChem CID165102353
Molecular FormulaC107H203N5
Molecular Weight1559.84 g/mol
Exact Mass1558.60
IUPAC Namebis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
SMILESCC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1
InChIInChI=1S/2C12H22.2C11H21N.2C11H20.2C10H19N.C10H20.C9H19N/c1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;2*1-11(2,3)10-7-8-4-5-9(10)6-8;2*1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h2*9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3
InChIKeyYNWPBVTVACXKCG-UHFFFAOYSA-N
XLogP30.40
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001559.84
LogP ≤ 530.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine with MolForge

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Related Compounds

Adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;bicyclo[3.2.2]nonane;bicyclo[3.2.1]octane;tricyclo[4.3.1.13,8]undecane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,3,3-trimethylbicyclo[3.2.1]octane;1,8,8-trimethylbicyclo[3.2.1]octane
CID 157936240
Bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane;3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 164967427
Bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
CID 164983367
Tris(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butylbicyclo[2.2.1]heptane;3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine
CID 167703631
Bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine;methane
CID 167711815

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?
The IUPAC name of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine (CID 165102353) is bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine.
What is the SMILES notation for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?
The canonical SMILES for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)C1CC2CCC(C2)C1.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CCCCC1.
What is the InChIKey of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?
The InChIKey is YNWPBVTVACXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22.2C11H21N.2C11H20.2C10H19N.C10H20.C9H19N/c1-12(2,3)11-7-9-4-5-10(6-9)8-11;1-12(2,3)11-9-5-4-6-10(11)8-7-9;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-11(2,3)12-9-5-4-6-10(12)8-7-9;2*1-11(2,3)10-7-8-4-5-9(10)6-8;2*1-10(2,3)11-7-8-4-5-9(11)6-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10/h2*9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;2*8-10H,4-7H2,1-3H3;2*8-9H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3.
What are the key properties of bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine?
bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine has a molecular weight of 1559.84 g/mol, XLogP of 30.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;bis(2-tert-butylbicyclo[2.2.1]heptane);3-tert-butylbicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;tert-butylcyclohexane;1-tert-butylpiperidine is sourced from PubChem (CID 165102353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).