1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol

C14H27NO — CID 20501069

IUPAC1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C14H27NO/c1-4-15-13(2,3)10-12(16)11-14(15)8-6-5-7-9-14/h12,16H,4-11H2,1-3H3
InChIKeyNNOPCQOUZZYDHW-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.94
Rot. Bonds1

About 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol

1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (PubChem CID 20501069) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
PubChem CID20501069
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
SMILESCCN1C(C)(C)CC(O)CC12CCCCC2
InChIInChI=1S/C14H27NO/c1-4-15-13(2,3)10-12(16)11-14(15)8-6-5-7-9-14/h12,16H,4-11H2,1-3H3
InChIKeyNNOPCQOUZZYDHW-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol (CID 20501069) is 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is CCN1C(C)(C)CC(O)CC12CCCCC2.
What is the InChIKey of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
The InChIKey is NNOPCQOUZZYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-15-13(2,3)10-12(16)11-14(15)8-6-5-7-9-14/h12,16H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol?
1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 20501069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).