3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C15H26N4O2 — CID 61231276

IUPAC3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O2/c1-15(2)13(20)19(14(21)17-15)7-6-18(3)12-8-10-4-5-11(9-12)16-10/h10-12,16H,4-9H2,1-3H3,(H,17,21)
InChIKeyTUIQLGJPWQWSMG-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.53
Rot. Bonds4

About 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 61231276) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID61231276
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4O2/c1-15(2)13(20)19(14(21)17-15)7-6-18(3)12-8-10-4-5-11(9-12)16-10/h10-12,16H,4-9H2,1-3H3,(H,17,21)
InChIKeyTUIQLGJPWQWSMG-UHFFFAOYSA-N
XLogP0.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 61231276) is 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CN(CCN1C(=O)NC(C)(C)C1=O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TUIQLGJPWQWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2)13(20)19(14(21)17-15)7-6-18(3)12-8-10-4-5-11(9-12)16-10/h10-12,16H,4-9H2,1-3H3,(H,17,21).
What are the key properties of 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 61231276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).