8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane

C11H20N2 — CID 175990650

IUPAC8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane
SMILESC=CCN1CC(CC)C2(CNC2)C1
InChIInChI=1S/C11H20N2/c1-3-5-13-6-10(4-2)11(9-13)7-12-8-11/h3,10,12H,1,4-9H2,2H3
InChIKeyJLQXOKGMGAORJN-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.10
Rot. Bonds3

About 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane

8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane (PubChem CID 175990650) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane
PubChem CID175990650
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane
SMILESC=CCN1CC(CC)C2(CNC2)C1
InChIInChI=1S/C11H20N2/c1-3-5-13-6-10(4-2)11(9-13)7-12-8-11/h3,10,12H,1,4-9H2,2H3
InChIKeyJLQXOKGMGAORJN-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane?
The IUPAC name of 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane (CID 175990650) is 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane is C=CCN1CC(CC)C2(CNC2)C1.
What is the InChIKey of 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane?
The InChIKey is JLQXOKGMGAORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-13-6-10(4-2)11(9-13)7-12-8-11/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane?
8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane has a molecular weight of 180.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-prop-2-enyl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 175990650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).