8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane

C87H167N7 — CID 159153104

IUPAC8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2(CCC2)C1.CC(C)(C)N1CCCC2(CCCCC2)C1
InChIInChI=1S/2C14H27N.C13H25N.2C12H23N.2C11H21N/c1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)13-9-5-8-12(10-13)6-4-7-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)12-8-4-5-11(9-12)6-7-11/h2*4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;2*4-9H2,1-3H3
InChIKeyKJOAIYMCGWFFLD-UHFFFAOYSA-N
MW1311.34 g/mol
LogP22.53
Rot. Bonds

About 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane

8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane (PubChem CID 159153104) has the molecular formula C87H167N7 and a molecular weight of 1311.34 g/mol. Its IUPAC name is 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
PubChem CID159153104
Molecular FormulaC87H167N7
Molecular Weight1311.34 g/mol
Exact Mass1310.33
IUPAC Name8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2(CCC2)C1.CC(C)(C)N1CCCC2(CCCCC2)C1
InChIInChI=1S/2C14H27N.C13H25N.2C12H23N.2C11H21N/c1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)13-9-5-8-12(10-13)6-4-7-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)12-8-4-5-11(9-12)6-7-11/h2*4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;2*4-9H2,1-3H3
InChIKeyKJOAIYMCGWFFLD-UHFFFAOYSA-N
XLogP22.53
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.34
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane?
The IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane (CID 159153104) is 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane is CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCCC2(CCC2)C1.CC(C)(C)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane?
The InChIKey is KJOAIYMCGWFFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H27N.C13H25N.2C12H23N.2C11H21N/c1-13(2,3)15-11-7-10-14(12-15)8-5-4-6-9-14;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-11(2,3)13-9-5-8-12(10-13)6-4-7-12;1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-10(2,3)12-8-4-5-11(9-12)6-7-11/h2*4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;2*4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane?
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane has a molecular weight of 1311.34 g/mol, XLogP of 22.53, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 159153104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).