3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C14H26N4O2 — CID 63595701

IUPAC3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C14H26N4O2/c1-10(15)11-4-6-17(7-5-11)8-9-18-12(19)14(2,3)16-13(18)20/h10-11H,4-9,15H2,1-3H3,(H,16,20)
InChIKeyMKFXYYOEFXIODC-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.38
Rot. Bonds4

About 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 63595701) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID63595701
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C14H26N4O2/c1-10(15)11-4-6-17(7-5-11)8-9-18-12(19)14(2,3)16-13(18)20/h10-11H,4-9,15H2,1-3H3,(H,16,20)
InChIKeyMKFXYYOEFXIODC-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.38
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-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 63595701) is 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1.
What is the InChIKey of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MKFXYYOEFXIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(15)11-4-6-17(7-5-11)8-9-18-12(19)14(2,3)16-13(18)20/h10-11H,4-9,15H2,1-3H3,(H,16,20).
What are the key properties of 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 63595701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).