2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane

C44H85N3 — CID 161082636

IUPAC2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
SMILESCC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/2C15H29N.C14H27N/c1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-13(2,3)12-7-8-15(9-12)10-16(11-15)14(4,5)6;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6/h2*12H,7-11H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyUGCLBIFRHBYMCF-UHFFFAOYSA-N
MW656.19 g/mol
LogP11.41
Rot. Bonds

About 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane

2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane (PubChem CID 161082636) has the molecular formula C44H85N3 and a molecular weight of 656.19 g/mol. Its IUPAC name is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
PubChem CID161082636
Molecular FormulaC44H85N3
Molecular Weight656.19 g/mol
Exact Mass655.67
IUPAC Name2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
SMILESCC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/2C15H29N.C14H27N/c1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-13(2,3)12-7-8-15(9-12)10-16(11-15)14(4,5)6;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6/h2*12H,7-11H2,1-6H3;11H,7-10H2,1-6H3
InChIKeyUGCLBIFRHBYMCF-UHFFFAOYSA-N
XLogP11.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.19
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane?
The IUPAC name of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane (CID 161082636) is 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane is CC(C)(C)C1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)C1CC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)C1CCC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane?
The InChIKey is UGCLBIFRHBYMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H29N.C14H27N/c1-13(2,3)12-9-15(10-12)7-8-16(11-15)14(4,5)6;1-13(2,3)12-7-8-15(9-12)10-16(11-15)14(4,5)6;1-12(2,3)11-7-14(8-11)9-15(10-14)13(4,5)6/h2*12H,7-11H2,1-6H3;11H,7-10H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane?
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane has a molecular weight of 656.19 g/mol, XLogP of 11.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 161082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).