5-ethyl-7-methoxy-5-azaspiro[2.4]heptane

C9H17NO — CID 59200729

IUPAC5-ethyl-7-methoxy-5-azaspiro[2.4]heptane
SMILESCCN1CC(OC)C2(CC2)C1
InChIInChI=1S/C9H17NO/c1-3-10-6-8(11-2)9(7-10)4-5-9/h8H,3-7H2,1-2H3
InChIKeyRTTWUYLVZBHLFG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane

5-ethyl-7-methoxy-5-azaspiro[2.4]heptane (PubChem CID 59200729) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-ethyl-7-methoxy-5-azaspiro[2.4]heptane
PubChem CID59200729
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-ethyl-7-methoxy-5-azaspiro[2.4]heptane
SMILESCCN1CC(OC)C2(CC2)C1
InChIInChI=1S/C9H17NO/c1-3-10-6-8(11-2)9(7-10)4-5-9/h8H,3-7H2,1-2H3
InChIKeyRTTWUYLVZBHLFG-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane?
The IUPAC name of 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane (CID 59200729) is 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane is CCN1CC(OC)C2(CC2)C1.
What is the InChIKey of 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane?
The InChIKey is RTTWUYLVZBHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-10-6-8(11-2)9(7-10)4-5-9/h8H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane?
5-ethyl-7-methoxy-5-azaspiro[2.4]heptane has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-5-azaspiro[2.4]heptane is sourced from PubChem (CID 59200729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).