8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane

C40H76N4 — CID 161213305

IUPAC8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2
InChIInChI=1S/C11H21N.2C10H19N.C9H17N/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)10-6-8-3-4-9(10)5-8/h9-10H,4-8H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyUWNICYGDVLXCFL-UHFFFAOYSA-N
MW613.08 g/mol
LogP9.08
Rot. Bonds3

About 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane

8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane (PubChem CID 161213305) has the molecular formula C40H76N4 and a molecular weight of 613.08 g/mol. Its IUPAC name is 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
PubChem CID161213305
Molecular FormulaC40H76N4
Molecular Weight613.08 g/mol
Exact Mass612.61
IUPAC Name8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
SMILESCC(C)(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2
InChIInChI=1S/C11H21N.2C10H19N.C9H17N/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)10-6-8-3-4-9(10)5-8/h9-10H,4-8H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3
InChIKeyUWNICYGDVLXCFL-UHFFFAOYSA-N
XLogP9.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.08
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

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;methane
CID 157408886
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 158335310
2-Methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 159478716
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;6-tert-butyl-6-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
CID 159501346
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;6-tert-butyl-6-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;methane
CID 159531655
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
CID 159893246
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160395778
2-Methyl-2-azabicyclo[2.2.1]heptane;3-methyl-3-azabicyclo[3.1.1]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160641459
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylazepane;1,4-ditert-butyl-2,6-dimethylpiperidine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-2,3,5,6-tetramethylpiperidine
CID 160765447
2-Methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160915566
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161518985
2-Methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 164985879

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane (CID 161213305) is 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane is CC(C)(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCC1C2.CC(C)N1CC2CCC1CC2.
What is the InChIKey of 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane?
The InChIKey is UWNICYGDVLXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.2C10H19N.C9H17N/c1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-8(2)11-7-9-3-5-10(11)6-4-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)10-6-8-3-4-9(10)5-8/h9-10H,4-8H2,1-3H3;2*8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3.
What are the key properties of 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane?
8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane has a molecular weight of 613.08 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161213305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).