5-tert-butyl-3-azaspiro[5.5]undecan-9-ol

C14H27NO — CID 175926973

IUPAC5-tert-butyl-3-azaspiro[5.5]undecan-9-ol
SMILESCC(C)(C)C1CNCCC12CCC(O)CC2
InChIInChI=1S/C14H27NO/c1-13(2,3)12-10-15-9-8-14(12)6-4-11(16)5-7-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyXZGYIFFXKSKHJS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.56
Rot. Bonds

About 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol

5-tert-butyl-3-azaspiro[5.5]undecan-9-ol (PubChem CID 175926973) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name5-tert-butyl-3-azaspiro[5.5]undecan-9-ol
PubChem CID175926973
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-tert-butyl-3-azaspiro[5.5]undecan-9-ol
SMILESCC(C)(C)C1CNCCC12CCC(O)CC2
InChIInChI=1S/C14H27NO/c1-13(2,3)12-10-15-9-8-14(12)6-4-11(16)5-7-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyXZGYIFFXKSKHJS-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-Cyclohexyl-2-(piperidin-2-yl)ethyl)cyclohexanol
CID 46781856
(6S,7R)-2-azaspiro[5.5]undecan-7-ol
CID 442651
2-Azaspiro[5.5]undecan-7-ol
CID 3555988
Isonitramine
CID 11789622
(4aS,5S,6S,8aS)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-isoquinolin-6-ol
CID 44345562
3-Azaspiro(5.5)undecan-9-ol hydrochloride
CID 119057057
cis-Hydroxy perhexiline
CID 131769924
(6R,7R)-2-azaspiro[5.5]undecan-7-ol
CID 10888332
(6R,11S)-2-azaspiro[5.5]undecan-11-ol
CID 11008336
(6S)-2-azaspiro[5.5]undecan-11-ol
CID 6102307
4-Hydroxy-3,5-di-t-butylpiperidine
CID 129806388
9-Methoxy-3-azaspiro[5.5]undecane
CID 58101855

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol?
The IUPAC name of 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol (CID 175926973) is 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol?
The canonical SMILES for 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol is CC(C)(C)C1CNCCC12CCC(O)CC2.
What is the InChIKey of 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol?
The InChIKey is XZGYIFFXKSKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)12-10-15-9-8-14(12)6-4-11(16)5-7-14/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol?
5-tert-butyl-3-azaspiro[5.5]undecan-9-ol has a molecular weight of 225.38 g/mol, XLogP of 2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-azaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 175926973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).