3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane

C56H107N5 — CID 163559928

IUPAC3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2(CCCCC2)C1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC2(CCC2)CC1
InChIInChI=1S/2C12H23N.2C11H21N.C10H19N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-12(10-13)7-5-4-6-8-12;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10/h2*4-10H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyFQIYUEONGUJEGP-UHFFFAOYSA-N
MW850.51 g/mol
LogP13.55
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane

3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane (PubChem CID 163559928) has the molecular formula C56H107N5 and a molecular weight of 850.51 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
PubChem CID163559928
Molecular FormulaC56H107N5
Molecular Weight850.51 g/mol
Exact Mass849.85
IUPAC Name3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
SMILESCC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2(CCCCC2)C1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC2(CCC2)CC1
InChIInChI=1S/2C12H23N.2C11H21N.C10H19N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-12(10-13)7-5-4-6-8-12;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10/h2*4-10H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyFQIYUEONGUJEGP-UHFFFAOYSA-N
XLogP13.55
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.51
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane (CID 163559928) is 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane is CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCC2)C1.CC(C)(C)N1CC2(CCCCC2)C1.CC(C)(C)N1CC2CCC(C2)C1.CC(C)(C)N1CCC2(CCC2)CC1.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane?
The InChIKey is FQIYUEONGUJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.2C11H21N.C10H19N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-12(10-13)7-5-4-6-8-12;1-11(2,3)12-7-9-4-5-10(6-9)8-12;1-10(2,3)12-8-11(9-12)6-4-5-7-11;1-9(2,3)11-7-10(8-11)5-4-6-10/h2*4-10H2,1-3H3;9-10H,4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane?
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane has a molecular weight of 850.51 g/mol, XLogP of 13.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane is sourced from PubChem (CID 163559928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).