3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione

C11H19N3O2 — CID 43428498

IUPAC3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione
SMILESCC1CCC(CN)C(N2C(=O)CNC2=O)C1
InChIInChI=1S/C11H19N3O2/c1-7-2-3-8(5-12)9(4-7)14-10(15)6-13-11(14)16/h7-9H,2-6,12H2,1H3,(H,13,16)
InChIKeyOJQJUPFWZSFBAG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.30
Rot. Bonds2

About 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione

3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione (PubChem CID 43428498) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione
PubChem CID43428498
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione
SMILESCC1CCC(CN)C(N2C(=O)CNC2=O)C1
InChIInChI=1S/C11H19N3O2/c1-7-2-3-8(5-12)9(4-7)14-10(15)6-13-11(14)16/h7-9H,2-6,12H2,1H3,(H,13,16)
InChIKeyOJQJUPFWZSFBAG-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)-5-methylcyclohexyl]-3-methylpiperazin-2-one
CID 55215919
7-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091243
1-[2-(aminomethyl)-5-methylcyclohexyl]-6-methylpiperidine-3-carboxamide
CID 54988928
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione
CID 43519473
3-(2-methylsulfanylcyclohexyl)imidazolidine-2,4-dione
CID 103936507
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
1-[2-(aminomethyl)-5-methylcyclohexyl]cinnolin-4-one
CID 43646481
3-[2-(aminomethyl)-5-methylcyclohexyl]-1,2,3-benzotriazin-4-one
CID 43589272
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549
3-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184029
3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
3-[2-[(3-methylcyclopentyl)amino]ethyl]imidazolidine-2,4-dione
CID 115653884

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione (CID 43428498) is 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione is CC1CCC(CN)C(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione?
The InChIKey is OJQJUPFWZSFBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-2-3-8(5-12)9(4-7)14-10(15)6-13-11(14)16/h7-9H,2-6,12H2,1H3,(H,13,16).
What are the key properties of 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione?
3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-methylcyclohexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43428498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).