5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione

C15H28N4O2 — CID 106614582

IUPAC5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
SMILESCC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC1CCCN1
InChIInChI=1S/C15H28N4O2/c1-11(2)18(10-12-6-5-7-16-12)8-9-19-13(20)15(3,4)17-14(19)21/h11-12,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyISISRJSFYCMLAO-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.78
Rot. Bonds6

About 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione (PubChem CID 106614582) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
PubChem CID106614582
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
SMILESCC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC1CCCN1
InChIInChI=1S/C15H28N4O2/c1-11(2)18(10-12-6-5-7-16-12)8-9-19-13(20)15(3,4)17-14(19)21/h11-12,16H,5-10H2,1-4H3,(H,17,21)
InChIKeyISISRJSFYCMLAO-UHFFFAOYSA-N
XLogP0.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-[propyl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione
CID 106615832
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
3,3-diethoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614420
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
CID 106614697
1-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethyl]pyrrolidine-2,5-dione
CID 106617112
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione (CID 106614582) is 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione is CC(C)N(CCN1C(=O)NC(C)(C)C1=O)CC1CCCN1.
What is the InChIKey of 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is ISISRJSFYCMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)18(10-12-6-5-7-16-12)8-9-19-13(20)15(3,4)17-14(19)21/h11-12,16H,5-10H2,1-4H3,(H,17,21).
What are the key properties of 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 296.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 106614582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).