ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol

C10H21NO2 — CID 169259661

IUPACethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol
SMILESCC.CNCC1(O)COC2(CC2)C1
InChIInChI=1S/C8H15NO2.C2H6/c1-9-5-7(10)4-8(2-3-8)11-6-7;1-2/h9-10H,2-6H2,1H3;1-2H3
InChIKeyHZUZXGMVDYXNNO-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds2

About ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol

ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol (PubChem CID 169259661) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Nameethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol
PubChem CID169259661
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol
SMILESCC.CNCC1(O)COC2(CC2)C1
InChIInChI=1S/C8H15NO2.C2H6/c1-9-5-7(10)4-8(2-3-8)11-6-7;1-2/h9-10H,2-6H2,1H3;1-2H3
InChIKeyHZUZXGMVDYXNNO-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol?
The IUPAC name of ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol (CID 169259661) is ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol.
What is the SMILES notation for ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol?
The canonical SMILES for ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol is CC.CNCC1(O)COC2(CC2)C1.
What is the InChIKey of ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol?
The InChIKey is HZUZXGMVDYXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-9-5-7(10)4-8(2-3-8)11-6-7;1-2/h9-10H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol?
ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 169259661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).