3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione

C11H21N3O2 — CID 82147925

IUPAC3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)C1(C)NC(=O)N(CCCN)C1=O
InChIInChI=1S/C11H21N3O2/c1-10(2,3)11(4)8(15)14(7-5-6-12)9(16)13-11/h5-7,12H2,1-4H3,(H,13,16)
InChIKeySIPWLQNWBKYBEW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds3

About 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione

3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione (PubChem CID 82147925) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
PubChem CID82147925
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)C1(C)NC(=O)N(CCCN)C1=O
InChIInChI=1S/C11H21N3O2/c1-10(2,3)11(4)8(15)14(7-5-6-12)9(16)13-11/h5-7,12H2,1-4H3,(H,13,16)
InChIKeySIPWLQNWBKYBEW-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
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

3-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 106801793
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 82148686
1,3-bis(3-aminopropyl)-5,5-dimethyl-1,3-diazinane-2,4-dione
CID 154146369
(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 99839715
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79570187
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione (CID 82147925) is 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione is CC(C)(C)C1(C)NC(=O)N(CCCN)C1=O.
What is the InChIKey of 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione?
The InChIKey is SIPWLQNWBKYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)11(4)8(15)14(7-5-6-12)9(16)13-11/h5-7,12H2,1-4H3,(H,13,16).
What are the key properties of 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione?
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione has a molecular weight of 227.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82147925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).