2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

C9H18Cl2N4O — CID 53256567

IUPAC2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCN(C)C1=NC2(CCNCC2)C(=O)N1.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9;;/h10H,3-6H2,1-2H3,(H,11,12,14);2*1H
InChIKeyOCMARAUHBRFPQA-UHFFFAOYSA-N
MW269.18 g/mol
LogP-0.00
Rot. Bonds

About 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (PubChem CID 53256567) has the molecular formula C9H18Cl2N4O and a molecular weight of 269.18 g/mol. Its IUPAC name is 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
PubChem CID53256567
Molecular FormulaC9H18Cl2N4O
Molecular Weight269.18 g/mol
Exact Mass268.09
IUPAC Name2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCN(C)C1=NC2(CCNCC2)C(=O)N1.Cl.Cl
InChIInChI=1S/C9H16N4O.2ClH/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9;;/h10H,3-6H2,1-2H3,(H,11,12,14);2*1H
InChIKeyOCMARAUHBRFPQA-UHFFFAOYSA-N
XLogP-0.00
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (CID 53256567) is 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is CN(C)C1=NC2(CCNCC2)C(=O)N1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The InChIKey is OCMARAUHBRFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.2ClH/c1-13(2)8-11-7(14)9(12-8)3-5-10-6-4-9;;/h10H,3-6H2,1-2H3,(H,11,12,14);2*1H.
What are the key properties of 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride has a molecular weight of 269.18 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is sourced from PubChem (CID 53256567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).