2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one

C10H19N3O — CID 82398724

IUPAC2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one
SMILESCC1NC2(CCCN(C)C2)CNC1=O
InChIInChI=1S/C10H19N3O/c1-8-9(14)11-6-10(12-8)4-3-5-13(2)7-10/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyJMZHLJWFDKJXAO-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds

About 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one

2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one (PubChem CID 82398724) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one
PubChem CID82398724
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one
SMILESCC1NC2(CCCN(C)C2)CNC1=O
InChIInChI=1S/C10H19N3O/c1-8-9(14)11-6-10(12-8)4-3-5-13(2)7-10/h8,12H,3-7H2,1-2H3,(H,11,14)
InChIKeyJMZHLJWFDKJXAO-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-8-oxa-1,4-diazaspiro[5.5]undecan-3-one
CID 82406616
8-methyl-1,8-diazaspiro[3.5]nonan-2-one
CID 169184407
(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
CID 96839656
ethane;9-methyl-1,9-diazaspiro[4.5]decane
CID 166075508
8-methyl-3-oxa-1,8-diazaspiro[5.5]undecan-2-one
CID 84769430
ethane;9-methyl-1,9-diazaspiro[3.6]decane
CID 170572198
(5S)-10-methyl-1,10-diazaspiro[4.6]undecane
CID 96850341
6-methyl-1,6-diazaspiro[2.4]heptane
CID 148820818
8-methyl-1,8-diazaspiro[5.5]undecan-4-ol
CID 82406470
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
CID 96604555
(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216
2-methyl-2,8-diazaspiro[5.5]undecan-11-one
CID 82407628

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one?
The IUPAC name of 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one (CID 82398724) is 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one is CC1NC2(CCCN(C)C2)CNC1=O.
What is the InChIKey of 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one?
The InChIKey is JMZHLJWFDKJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-9(14)11-6-10(12-8)4-3-5-13(2)7-10/h8,12H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one?
2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,4,8-triazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 82398724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).