11-butyl-1-azaspiro[5.5]undecan-10-ol

C14H27NO — CID 573581

IUPAC11-butyl-1-azaspiro[5.5]undecan-10-ol
SMILESCCCCC1C(O)CCCC12CCCCN2
InChIInChI=1S/C14H27NO/c1-2-3-7-12-13(16)8-6-10-14(12)9-4-5-11-15-14/h12-13,15-16H,2-11H2,1H3
InChIKeyYJEQGBHTTODACM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds3

About 11-butyl-1-azaspiro[5.5]undecan-10-ol

11-butyl-1-azaspiro[5.5]undecan-10-ol (PubChem CID 573581) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 11-butyl-1-azaspiro[5.5]undecan-10-ol.

Molecular Properties

Compound Name11-butyl-1-azaspiro[5.5]undecan-10-ol
PubChem CID573581
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name11-butyl-1-azaspiro[5.5]undecan-10-ol
SMILESCCCCC1C(O)CCCC12CCCCN2
InChIInChI=1S/C14H27NO/c1-2-3-7-12-13(16)8-6-10-14(12)9-4-5-11-15-14/h12-13,15-16H,2-11H2,1H3
InChIKeyYJEQGBHTTODACM-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-butyl-1-azaspiro[5.5]undecan-10-ol?
The IUPAC name of 11-butyl-1-azaspiro[5.5]undecan-10-ol (CID 573581) is 11-butyl-1-azaspiro[5.5]undecan-10-ol.
What is the SMILES notation for 11-butyl-1-azaspiro[5.5]undecan-10-ol?
The canonical SMILES for 11-butyl-1-azaspiro[5.5]undecan-10-ol is CCCCC1C(O)CCCC12CCCCN2.
What is the InChIKey of 11-butyl-1-azaspiro[5.5]undecan-10-ol?
The InChIKey is YJEQGBHTTODACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-7-12-13(16)8-6-10-14(12)9-4-5-11-15-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 11-butyl-1-azaspiro[5.5]undecan-10-ol?
11-butyl-1-azaspiro[5.5]undecan-10-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-1-azaspiro[5.5]undecan-10-ol is sourced from PubChem (CID 573581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).