2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane

C31H61N3 — CID 159909610

IUPAC2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)C1CC2(CCCCC2)CC(C(C)(C)C)N1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C18H35N.C13H26N2/c1-16(2,3)14-12-18(10-8-7-9-11-18)13-15(19-14)17(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h14-15,19H,7-13H2,1-6H3;7-10H2,1-6H3
InChIKeyNWZZSFHUGUBYHE-UHFFFAOYSA-N
MW475.85 g/mol
LogP7.35
Rot. Bonds

About 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane

2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane (PubChem CID 159909610) has the molecular formula C31H61N3 and a molecular weight of 475.85 g/mol. Its IUPAC name is 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane
PubChem CID159909610
Molecular FormulaC31H61N3
Molecular Weight475.85 g/mol
Exact Mass475.49
IUPAC Name2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane
SMILESCC(C)(C)C1CC2(CCCCC2)CC(C(C)(C)C)N1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C18H35N.C13H26N2/c1-16(2,3)14-12-18(10-8-7-9-11-18)13-15(19-14)17(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h14-15,19H,7-13H2,1-6H3;7-10H2,1-6H3
InChIKeyNWZZSFHUGUBYHE-UHFFFAOYSA-N
XLogP7.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.85
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

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CID 58166810
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CID 167549222
2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
CID 170068685
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CID 163559928
2-tert-butyl-9-methyl-2-azaspiro[5.5]undecane
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CID 159153104
3-tert-butyl-4-methylspiro[5.6]dodecane
CID 158157061
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
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7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane (CID 159909610) is 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane is CC(C)(C)C1CC2(CCCCC2)CC(C(C)(C)C)N1.CC(C)(C)N1CC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is NWZZSFHUGUBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N.C13H26N2/c1-16(2,3)14-12-18(10-8-7-9-11-18)13-15(19-14)17(4,5)6;1-11(2,3)14-7-13(8-14)9-15(10-13)12(4,5)6/h14-15,19H,7-13H2,1-6H3;7-10H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane?
2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 475.85 g/mol, XLogP of 7.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-3-azaspiro[5.5]undecane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 159909610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).