6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane

C17H25NO2 — CID 87590661

IUPAC6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
SMILESc1ccc(CCOCCCN2CCC3(CC2)CO3)cc1
InChIInChI=1S/C17H25NO2/c1-2-5-16(6-3-1)7-14-19-13-4-10-18-11-8-17(9-12-18)15-20-17/h1-3,5-6H,4,7-15H2
InChIKeyMNHAFNHGJYWLKE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.50
Rot. Bonds7

About 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane

6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane (PubChem CID 87590661) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
PubChem CID87590661
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
SMILESc1ccc(CCOCCCN2CCC3(CC2)CO3)cc1
InChIInChI=1S/C17H25NO2/c1-2-5-16(6-3-1)7-14-19-13-4-10-18-11-8-17(9-12-18)15-20-17/h1-3,5-6H,4,7-15H2
InChIKeyMNHAFNHGJYWLKE-UHFFFAOYSA-N
XLogP2.50
TPSA25.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane (CID 87590661) is 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane is c1ccc(CCOCCCN2CCC3(CC2)CO3)cc1.
What is the InChIKey of 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is MNHAFNHGJYWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-5-16(6-3-1)7-14-19-13-4-10-18-11-8-17(9-12-18)15-20-17/h1-3,5-6H,4,7-15H2.
What are the key properties of 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane?
6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 275.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 87590661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).