2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane

C35H67N3 — CID 167549222

IUPAC2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)C1
InChIInChI=1S/2C12H23N.C11H21N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11/h2*4-10H2,1-3H3;4-9H2,1-3H3
InChIKeyCERUFMYZLFRGEI-UHFFFAOYSA-N
MW529.94 g/mol
LogP8.76
Rot. Bonds

About 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane

2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane (PubChem CID 167549222) has the molecular formula C35H67N3 and a molecular weight of 529.94 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
PubChem CID167549222
Molecular FormulaC35H67N3
Molecular Weight529.94 g/mol
Exact Mass529.53
IUPAC Name2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
SMILESCC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)C1
InChIInChI=1S/2C12H23N.C11H21N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11/h2*4-10H2,1-3H3;4-9H2,1-3H3
InChIKeyCERUFMYZLFRGEI-UHFFFAOYSA-N
XLogP8.76
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.94
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane (CID 167549222) is 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane is CC(C)(C)N1CCC2(CCC2)C1.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2(CCCC2)C1.
What is the InChIKey of 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane?
The InChIKey is CERUFMYZLFRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23N.C11H21N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-9-8-12(10-13)6-4-5-7-12;1-10(2,3)12-8-7-11(9-12)5-4-6-11/h2*4-10H2,1-3H3;4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane?
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane has a molecular weight of 529.94 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 167549222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).