1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone

C13H25N3O2 — CID 56740513

IUPAC1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-14-6-4-13(5-7-14)11-16(9-8-15(13)2)12(17)10-18-3/h4-11H2,1-3H3
InChIKeyMVTXHCJNAXSBSU-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.13
Rot. Bonds2

About 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone

1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone (PubChem CID 56740513) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone
PubChem CID56740513
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-14-6-4-13(5-7-14)11-16(9-8-15(13)2)12(17)10-18-3/h4-11H2,1-3H3
InChIKeyMVTXHCJNAXSBSU-UHFFFAOYSA-N
XLogP-0.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone?
The IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone (CID 56740513) is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone?
The canonical SMILES for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone is COCC(=O)N1CCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone?
The InChIKey is MVTXHCJNAXSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-6-4-13(5-7-14)11-16(9-8-15(13)2)12(17)10-18-3/h4-11H2,1-3H3.
What are the key properties of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone?
1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone has a molecular weight of 255.36 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-methoxyethanone is sourced from PubChem (CID 56740513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).