2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane

C13H25NO — CID 166847174

IUPAC2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane
SMILESCCN1CC2(CCC(OC(C)C)CC2)C1
InChIInChI=1S/C13H25NO/c1-4-14-9-13(10-14)7-5-12(6-8-13)15-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyKCUZUIKOAXNECA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.68
Rot. Bonds3

About 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane

2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane (PubChem CID 166847174) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane
PubChem CID166847174
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane
SMILESCCN1CC2(CCC(OC(C)C)CC2)C1
InChIInChI=1S/C13H25NO/c1-4-14-9-13(10-14)7-5-12(6-8-13)15-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyKCUZUIKOAXNECA-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane?
The IUPAC name of 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane (CID 166847174) is 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane is CCN1CC2(CCC(OC(C)C)CC2)C1.
What is the InChIKey of 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane?
The InChIKey is KCUZUIKOAXNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14-9-13(10-14)7-5-12(6-8-13)15-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane?
2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane has a molecular weight of 211.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-propan-2-yloxy-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166847174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).