1-ethyl-1,7-diazaspiro[3.4]octane

C8H16N2 — CID 172607243

IUPAC1-ethyl-1,7-diazaspiro[3.4]octane
SMILESCCN1CCC12CCNC2
InChIInChI=1S/C8H16N2/c1-2-10-6-4-8(10)3-5-9-7-8/h9H,2-7H2,1H3
InChIKeyYDDYGDXFYWPZLN-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About 1-ethyl-1,7-diazaspiro[3.4]octane

1-ethyl-1,7-diazaspiro[3.4]octane (PubChem CID 172607243) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethyl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-ethyl-1,7-diazaspiro[3.4]octane
PubChem CID172607243
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethyl-1,7-diazaspiro[3.4]octane
SMILESCCN1CCC12CCNC2
InChIInChI=1S/C8H16N2/c1-2-10-6-4-8(10)3-5-9-7-8/h9H,2-7H2,1H3
InChIKeyYDDYGDXFYWPZLN-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-ethyl-1,7-diazaspiro[3.4]octane (CID 172607243) is 1-ethyl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-ethyl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-ethyl-1,7-diazaspiro[3.4]octane is CCN1CCC12CCNC2.
What is the InChIKey of 1-ethyl-1,7-diazaspiro[3.4]octane?
The InChIKey is YDDYGDXFYWPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-6-4-8(10)3-5-9-7-8/h9H,2-7H2,1H3.
What are the key properties of 1-ethyl-1,7-diazaspiro[3.4]octane?
1-ethyl-1,7-diazaspiro[3.4]octane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 172607243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).