1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone

C13H25N3O2 — CID 91910480

IUPAC1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-14-7-12(17)16-8-11(9-18-2)13(10-16)3-5-15-6-4-13/h11,14-15H,3-10H2,1-2H3
InChIKeyJKSDECFVKXFQPF-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.32
Rot. Bonds4

About 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone

1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone (PubChem CID 91910480) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone
PubChem CID91910480
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(COC)C2(CCNCC2)C1
InChIInChI=1S/C13H25N3O2/c1-14-7-12(17)16-8-11(9-18-2)13(10-16)3-5-15-6-4-13/h11,14-15H,3-10H2,1-2H3
InChIKeyJKSDECFVKXFQPF-UHFFFAOYSA-N
XLogP-0.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone (CID 91910480) is 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC(COC)C2(CCNCC2)C1.
What is the InChIKey of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone?
The InChIKey is JKSDECFVKXFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-7-12(17)16-8-11(9-18-2)13(10-16)3-5-15-6-4-13/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone?
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 91910480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).