6-tert-butyl-6-azaspiro[3.5]nonane

C12H23N — CID 90207233

IUPAC6-tert-butyl-6-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCCC2(CCC2)C1
InChIInChI=1S/C12H23N/c1-11(2,3)13-9-5-8-12(10-13)6-4-7-12/h4-10H2,1-3H3
InChIKeyVUDMPIYMLWKHOF-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds

About 6-tert-butyl-6-azaspiro[3.5]nonane

6-tert-butyl-6-azaspiro[3.5]nonane (PubChem CID 90207233) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-tert-butyl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-tert-butyl-6-azaspiro[3.5]nonane
PubChem CID90207233
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-tert-butyl-6-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CCCC2(CCC2)C1
InChIInChI=1S/C12H23N/c1-11(2,3)13-9-5-8-12(10-13)6-4-7-12/h4-10H2,1-3H3
InChIKeyVUDMPIYMLWKHOF-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-azaspiro[3.5]nonane?
The IUPAC name of 6-tert-butyl-6-azaspiro[3.5]nonane (CID 90207233) is 6-tert-butyl-6-azaspiro[3.5]nonane.
What is the SMILES notation for 6-tert-butyl-6-azaspiro[3.5]nonane?
The canonical SMILES for 6-tert-butyl-6-azaspiro[3.5]nonane is CC(C)(C)N1CCCC2(CCC2)C1.
What is the InChIKey of 6-tert-butyl-6-azaspiro[3.5]nonane?
The InChIKey is VUDMPIYMLWKHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)13-9-5-8-12(10-13)6-4-7-12/h4-10H2,1-3H3.
What are the key properties of 6-tert-butyl-6-azaspiro[3.5]nonane?
6-tert-butyl-6-azaspiro[3.5]nonane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 90207233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).