3-ethoxyspiro[3.4]octan-1-amine

C10H19NO — CID 54596090

IUPAC3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(N)C12CCCC2
InChIInChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3
InChIKeyXTYJBOSOXNCQDY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds2

About 3-ethoxyspiro[3.4]octan-1-amine

3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 54596090) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxyspiro[3.4]octan-1-amine
PubChem CID54596090
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(N)C12CCCC2
InChIInChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3
InChIKeyXTYJBOSOXNCQDY-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxyspiro[3.4]octan-1-amine (CID 54596090) is 3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(N)C12CCCC2.
What is the InChIKey of 3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is XTYJBOSOXNCQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-12-9-7-8(11)10(9)5-3-4-6-10/h8-9H,2-7,11H2,1H3.
What are the key properties of 3-ethoxyspiro[3.4]octan-1-amine?
3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 54596090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).