3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol

C13H25NO — CID 128570191

IUPAC3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol
SMILESCC(C)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)14-9-7-13(8-10-14)5-3-12(15)4-6-13/h11-12,15H,3-10H2,1-2H3
InChIKeyVQQRGNJMYQUZIR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds1

About 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol

3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol (PubChem CID 128570191) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol
PubChem CID128570191
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol
SMILESCC(C)N1CCC2(CCC(O)CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)14-9-7-13(8-10-14)5-3-12(15)4-6-13/h11-12,15H,3-10H2,1-2H3
InChIKeyVQQRGNJMYQUZIR-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol?
The IUPAC name of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol (CID 128570191) is 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol?
The canonical SMILES for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol is CC(C)N1CCC2(CCC(O)CC2)CC1.
What is the InChIKey of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol?
The InChIKey is VQQRGNJMYQUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-9-7-13(8-10-14)5-3-12(15)4-6-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol?
3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 128570191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).