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

C14H25N3O2 — CID 43428595

IUPAC3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC1CCC(CN)C(N2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C14H25N3O2/c1-4-9-5-6-10(8-15)11(7-9)17-12(18)14(2,3)16-13(17)19/h9-11H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyQUMPJYULLCBFIK-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.47
Rot. Bonds3

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

3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43428595) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43428595
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC1CCC(CN)C(N2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C14H25N3O2/c1-4-9-5-6-10(8-15)11(7-9)17-12(18)14(2,3)16-13(17)19/h9-11H,4-8,15H2,1-3H3,(H,16,19)
InChIKeyQUMPJYULLCBFIK-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43428595) is 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione is CCC1CCC(CN)C(N2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QUMPJYULLCBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-9-5-6-10(8-15)11(7-9)17-12(18)14(2,3)16-13(17)19/h9-11H,4-8,15H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-ethylcyclohexyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43428595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).