4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C9H17ClN2O — CID 90016660

IUPAC4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCC1(C)CCNC12CCNC2=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8(2)3-6-11-9(8)4-5-10-7(9)12;/h11H,3-6H2,1-2H3,(H,10,12);1H
InChIKeyIRJSKWBUUVDECF-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.69
Rot. Bonds

About 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 90016660) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
PubChem CID90016660
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
SMILESCC1(C)CCNC12CCNC2=O.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-8(2)3-6-11-9(8)4-5-10-7(9)12;/h11H,3-6H2,1-2H3,(H,10,12);1H
InChIKeyIRJSKWBUUVDECF-UHFFFAOYSA-N
XLogP0.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The IUPAC name of 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 90016660) is 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The canonical SMILES for 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is CC1(C)CCNC12CCNC2=O.Cl.
What is the InChIKey of 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
The InChIKey is IRJSKWBUUVDECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-8(2)3-6-11-9(8)4-5-10-7(9)12;/h11H,3-6H2,1-2H3,(H,10,12);1H.
What are the key properties of 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?
4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 90016660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).