2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride

C9H20Cl2N2O — CID 155229492

IUPAC2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CC2(CCOCC2)C1
InChIInChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-9(8-11)1-5-12-6-2-9;;/h1-8,10H2;2*1H
InChIKeyOROLQENWDWLDSN-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.90
Rot. Bonds2

About 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride

2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride (PubChem CID 155229492) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride
PubChem CID155229492
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CC2(CCOCC2)C1
InChIInChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-9(8-11)1-5-12-6-2-9;;/h1-8,10H2;2*1H
InChIKeyOROLQENWDWLDSN-UHFFFAOYSA-N
XLogP0.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride (CID 155229492) is 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCN1CC2(CCOCC2)C1.
What is the InChIKey of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride?
The InChIKey is OROLQENWDWLDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c10-3-4-11-7-9(8-11)1-5-12-6-2-9;;/h1-8,10H2;2*1H.
What are the key properties of 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride?
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 155229492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).