5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride

C9H20Cl2N2O — CID 155822341

IUPAC5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride
SMILESCOCCN1CCCC12CNC2.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-12-6-5-11-4-2-3-9(11)7-10-8-9;;/h10H,2-8H2,1H3;2*1H
InChIKeyYMQAPPYOWZUHLQ-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.91
Rot. Bonds3

About 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride

5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride (PubChem CID 155822341) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride
PubChem CID155822341
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride
SMILESCOCCN1CCCC12CNC2.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-12-6-5-11-4-2-3-9(11)7-10-8-9;;/h10H,2-8H2,1H3;2*1H
InChIKeyYMQAPPYOWZUHLQ-UHFFFAOYSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride?
The IUPAC name of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride (CID 155822341) is 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride.
What is the SMILES notation for 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride?
The canonical SMILES for 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride is COCCN1CCCC12CNC2.Cl.Cl.
What is the InChIKey of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride?
The InChIKey is YMQAPPYOWZUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-12-6-5-11-4-2-3-9(11)7-10-8-9;;/h10H,2-8H2,1H3;2*1H.
What are the key properties of 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride?
5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2,5-diazaspiro[3.4]octane;dihydrochloride is sourced from PubChem (CID 155822341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).