1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone

C12H22N2O2 — CID 121202812

IUPAC1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-11(16)14-7-10(8-15)12(9-14)4-2-3-5-12/h10,13,15H,2-9H2,1H3
InChIKeyMIGMFFLYPRPIKA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.22
Rot. Bonds3

About 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone

1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone (PubChem CID 121202812) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone
PubChem CID121202812
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-11(16)14-7-10(8-15)12(9-14)4-2-3-5-12/h10,13,15H,2-9H2,1H3
InChIKeyMIGMFFLYPRPIKA-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone (CID 121202812) is 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC(CO)C2(CCCC2)C1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone?
The InChIKey is MIGMFFLYPRPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-11(16)14-7-10(8-15)12(9-14)4-2-3-5-12/h10,13,15H,2-9H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone?
1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 121202812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).