3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione

C9H17N3O2 — CID 83819144

IUPAC3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCC(C)(C)N)C1=O
InChIInChI=1S/C9H17N3O2/c1-9(2,10)4-5-12-7(13)6-11(3)8(12)14/h4-6,10H2,1-3H3
InChIKeyIAVPGGLXRKIJBJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.01
Rot. Bonds3

About 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione

3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione (PubChem CID 83819144) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
PubChem CID83819144
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCC(C)(C)N)C1=O
InChIInChI=1S/C9H17N3O2/c1-9(2,10)4-5-12-7(13)6-11(3)8(12)14/h4-6,10H2,1-3H3
InChIKeyIAVPGGLXRKIJBJ-UHFFFAOYSA-N
XLogP0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-3-methylbutyl)pyrrolidine-2,5-dione
CID 83817356
2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
CID 65248880
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
3-[2-(2,2-dimethylpropoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 21027116
ethane;3-ethyl-1-methylimidazolidine-2,4-dione
CID 142101907
3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
CID 43135403
3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 43242890
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
CID 65006074
3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212260

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione (CID 83819144) is 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCC(C)(C)N)C1=O.
What is the InChIKey of 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is IAVPGGLXRKIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,10)4-5-12-7(13)6-11(3)8(12)14/h4-6,10H2,1-3H3.
What are the key properties of 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione?
3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 83819144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).