3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione

C12H21N3O2 — CID 43428596

IUPAC3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C2CCCCC2CN)C1=O
InChIInChI=1S/C12H21N3O2/c1-12(2)10(16)15(11(17)14-12)9-6-4-3-5-8(9)7-13/h8-9H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyOHTGDKRGUVYWKS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.83
Rot. Bonds2

About 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43428596) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43428596
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C2CCCCC2CN)C1=O
InChIInChI=1S/C12H21N3O2/c1-12(2)10(16)15(11(17)14-12)9-6-4-3-5-8(9)7-13/h8-9H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyOHTGDKRGUVYWKS-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
N-cyclohexyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2109987
N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4192869
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
N-cyclohexyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16293462
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 2998058
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
3-Cyclohexyl-5-isopropylimidazolidine-2,4-dione
CID 5273849
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-((diethylamino)methyl)-
CID 84787
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(2-(diethylamino)ethyl)-, hydrochloride
CID 120953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43428596) is 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C2CCCCC2CN)C1=O.
What is the InChIKey of 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OHTGDKRGUVYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2)10(16)15(11(17)14-12)9-6-4-3-5-8(9)7-13/h8-9H,3-7,13H2,1-2H3,(H,14,17).
What are the key properties of 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)cyclohexyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43428596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).