2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

C12H22N2O2 — CID 121202860

IUPAC2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESNCC(=O)N1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c13-6-11(16)14-7-10(8-15)12(9-14)4-2-1-3-5-12/h10,15H,1-9,13H2
InChIKeySIVKSCHRGMGECD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 121202860) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID121202860
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESNCC(=O)N1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H22N2O2/c13-6-11(16)14-7-10(8-15)12(9-14)4-2-1-3-5-12/h10,15H,1-9,13H2
InChIKeySIVKSCHRGMGECD-UHFFFAOYSA-N
XLogP0.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (CID 121202860) is 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is NCC(=O)N1CC(CO)C2(CCCCC2)C1.
What is the InChIKey of 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is SIVKSCHRGMGECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-6-11(16)14-7-10(8-15)12(9-14)4-2-1-3-5-12/h10,15H,1-9,13H2.
What are the key properties of 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 121202860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).