5-ethyl-2,7-diazaspiro[3.4]octane

C8H16N2 — CID 168914413

IUPAC5-ethyl-2,7-diazaspiro[3.4]octane
SMILESCCC1CNCC12CNC2
InChIInChI=1S/C8H16N2/c1-2-7-3-9-4-8(7)5-10-6-8/h7,9-10H,2-6H2,1H3
InChIKeyIQUKUFYWBRBKNU-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.21
Rot. Bonds1

About 5-ethyl-2,7-diazaspiro[3.4]octane

5-ethyl-2,7-diazaspiro[3.4]octane (PubChem CID 168914413) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-ethyl-2,7-diazaspiro[3.4]octane
PubChem CID168914413
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-ethyl-2,7-diazaspiro[3.4]octane
SMILESCCC1CNCC12CNC2
InChIInChI=1S/C8H16N2/c1-2-7-3-9-4-8(7)5-10-6-8/h7,9-10H,2-6H2,1H3
InChIKeyIQUKUFYWBRBKNU-UHFFFAOYSA-N
XLogP0.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 5-ethyl-2,7-diazaspiro[3.4]octane (CID 168914413) is 5-ethyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 5-ethyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 5-ethyl-2,7-diazaspiro[3.4]octane is CCC1CNCC12CNC2.
What is the InChIKey of 5-ethyl-2,7-diazaspiro[3.4]octane?
The InChIKey is IQUKUFYWBRBKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-3-9-4-8(7)5-10-6-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 5-ethyl-2,7-diazaspiro[3.4]octane?
5-ethyl-2,7-diazaspiro[3.4]octane has a molecular weight of 140.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 168914413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).