ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol

C12H25NO2 — CID 144685638

IUPACethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol
SMILESCC.OCCCN1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO2.C2H6/c12-7-1-4-11-5-2-10(3-6-11)8-13-9-10;1-2/h12H,1-9H2;1-2H3
InChIKeyDFJFHMHTWBRHNZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds3

About ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol

ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol (PubChem CID 144685638) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol.

Molecular Properties

Compound Nameethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol
PubChem CID144685638
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol
SMILESCC.OCCCN1CCC2(CC1)COC2
InChIInChI=1S/C10H19NO2.C2H6/c12-7-1-4-11-5-2-10(3-6-11)8-13-9-10;1-2/h12H,1-9H2;1-2H3
InChIKeyDFJFHMHTWBRHNZ-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol?
The IUPAC name of ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol (CID 144685638) is ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol.
What is the SMILES notation for ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol?
The canonical SMILES for ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol is CC.OCCCN1CCC2(CC1)COC2.
What is the InChIKey of ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol?
The InChIKey is DFJFHMHTWBRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c12-7-1-4-11-5-2-10(3-6-11)8-13-9-10;1-2/h12H,1-9H2;1-2H3.
What are the key properties of ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol?
ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-ol is sourced from PubChem (CID 144685638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).