1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium

C8H15N2Rf- — CID 170571803

IUPAC1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium
SMILESC[CH-]N1CCC12CCCN2.[Rf]
InChIInChI=1S/C8H15N2.Rf/c1-2-10-7-5-8(10)4-3-6-9-8;/h2,9H,3-7H2,1H3;/q-1;
InChIKeyNOTXEXPGVFVYSZ-UHFFFAOYSA-N
MW406.22 g/mol
LogP0.95
Rot. Bonds1

About 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium

1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium (PubChem CID 170571803) has the molecular formula C8H15N2Rf- and a molecular weight of 406.22 g/mol. Its IUPAC name is 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium.

Molecular Properties

Compound Name1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium
PubChem CID170571803
Molecular FormulaC8H15N2Rf-
Molecular Weight406.22 g/mol
Exact Mass406.25
IUPAC Name1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium
SMILESC[CH-]N1CCC12CCCN2.[Rf]
InChIInChI=1S/C8H15N2.Rf/c1-2-10-7-5-8(10)4-3-6-9-8;/h2,9H,3-7H2,1H3;/q-1;
InChIKeyNOTXEXPGVFVYSZ-UHFFFAOYSA-N
XLogP0.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium?
The IUPAC name of 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium (CID 170571803) is 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium.
What is the SMILES notation for 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium?
The canonical SMILES for 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium is C[CH-]N1CCC12CCCN2.[Rf].
What is the InChIKey of 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium?
The InChIKey is NOTXEXPGVFVYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2.Rf/c1-2-10-7-5-8(10)4-3-6-9-8;/h2,9H,3-7H2,1H3;/q-1;.
What are the key properties of 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium?
1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium has a molecular weight of 406.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,8-diazaspiro[3.4]octane;rutherfordium is sourced from PubChem (CID 170571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).