ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane

C13H28N2O — CID 153357180

IUPACethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCC.CC(C)N1CCOCC12CCCNC2
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-7-14-9-11(13)4-3-5-12-8-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyVCGBMVLSICTDOK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds1

About ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane

ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane (PubChem CID 153357180) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
PubChem CID153357180
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
SMILESCC.CC(C)N1CCOCC12CCCNC2
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-7-14-9-11(13)4-3-5-12-8-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3
InChIKeyVCGBMVLSICTDOK-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane?
The IUPAC name of ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane (CID 153357180) is ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane is CC.CC(C)N1CCOCC12CCCNC2.
What is the InChIKey of ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane?
The InChIKey is VCGBMVLSICTDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-7-14-9-11(13)4-3-5-12-8-11;1-2/h10,12H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane?
ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane has a molecular weight of 228.38 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 153357180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).