11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride

C12H24ClNO — CID 146083031

IUPAC11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride
SMILESCC(C)C1CNCCC12CCOCC2.Cl
InChIInChI=1S/C12H23NO.ClH/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyGXXATZSMHWFKPC-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.47
Rot. Bonds1

About 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride

11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride (PubChem CID 146083031) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride
PubChem CID146083031
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride
SMILESCC(C)C1CNCCC12CCOCC2.Cl
InChIInChI=1S/C12H23NO.ClH/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyGXXATZSMHWFKPC-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride (CID 146083031) is 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride is CC(C)C1CNCCC12CCOCC2.Cl.
What is the InChIKey of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is GXXATZSMHWFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-10(2)11-9-13-6-3-12(11)4-7-14-8-5-12;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride?
11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-3-oxa-9-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 146083031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).