9-methoxy-3-azaspiro[5.5]undecane;hydrochloride

C11H22ClNO — CID 135393203

IUPAC9-methoxy-3-azaspiro[5.5]undecane;hydrochloride
SMILESCOC1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-13-10-2-4-11(5-3-10)6-8-12-9-7-11;/h10,12H,2-9H2,1H3;1H
InChIKeyZEGPVZXUBCAECI-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.37
Rot. Bonds1

About 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride

9-methoxy-3-azaspiro[5.5]undecane;hydrochloride (PubChem CID 135393203) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name9-methoxy-3-azaspiro[5.5]undecane;hydrochloride
PubChem CID135393203
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name9-methoxy-3-azaspiro[5.5]undecane;hydrochloride
SMILESCOC1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-13-10-2-4-11(5-3-10)6-8-12-9-7-11;/h10,12H,2-9H2,1H3;1H
InChIKeyZEGPVZXUBCAECI-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride (CID 135393203) is 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride is COC1CCC2(CCNCC2)CC1.Cl.
What is the InChIKey of 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is ZEGPVZXUBCAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-13-10-2-4-11(5-3-10)6-8-12-9-7-11;/h10,12H,2-9H2,1H3;1H.
What are the key properties of 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride?
9-methoxy-3-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 135393203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).