3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione

C13H26N4O2 — CID 79661344

IUPAC3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione
SMILESCCCN(CCN1C(=O)CNC1=O)CC(C)(C)CN
InChIInChI=1S/C13H26N4O2/c1-4-5-16(10-13(2,3)9-14)6-7-17-11(18)8-15-12(17)19/h4-10,14H2,1-3H3,(H,15,19)
InChIKeyVSHRCOBFVGTVCC-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.24
Rot. Bonds8

About 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione

3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione (PubChem CID 79661344) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione
PubChem CID79661344
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione
SMILESCCCN(CCN1C(=O)CNC1=O)CC(C)(C)CN
InChIInChI=1S/C13H26N4O2/c1-4-5-16(10-13(2,3)9-14)6-7-17-11(18)8-15-12(17)19/h4-10,14H2,1-3H3,(H,15,19)
InChIKeyVSHRCOBFVGTVCC-UHFFFAOYSA-N
XLogP0.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.24
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

1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
CID 79661171
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
CID 112734238
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethyl]imidazolidine-2,4-dione
CID 115773268
3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
CID 107367635
5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79665484
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
CID 82907637
N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119656251
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
CID 103936406

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione (CID 79661344) is 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione is CCCN(CCN1C(=O)CNC1=O)CC(C)(C)CN.
What is the InChIKey of 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione?
The InChIKey is VSHRCOBFVGTVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-5-16(10-13(2,3)9-14)6-7-17-11(18)8-15-12(17)19/h4-10,14H2,1-3H3,(H,15,19).
What are the key properties of 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione?
3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione has a molecular weight of 270.38 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79661344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).