3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

C11H21N3O2 — CID 82148488

IUPAC3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCC(N)CN1C(=O)NC(C)(C(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-5-8(12)6-14-9(15)11(4,7(2)3)13-10(14)16/h7-8H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyPRIFVQSRPBVCKF-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds4

About 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 82148488) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID82148488
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCC(N)CN1C(=O)NC(C)(C(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-5-8(12)6-14-9(15)11(4,7(2)3)13-10(14)16/h7-8H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyPRIFVQSRPBVCKF-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
3-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
(5R)-3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389930
3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide
CID 82148892
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82149162
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
ethyl 2-(1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
CID 20833911
3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148502
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 82148488) is 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is CCC(N)CN1C(=O)NC(C)(C(C)C)C1=O.
What is the InChIKey of 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is PRIFVQSRPBVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(12)6-14-9(15)11(4,7(2)3)13-10(14)16/h7-8H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 227.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 82148488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).