3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one

C13H25N3O — CID 83255170

IUPAC3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CCN(C)C2CC2)C1=O
InChIInChI=1S/C13H25N3O/c1-4-11-13(17)16(12(5-2)14-11)9-8-15(3)10-6-7-10/h10-12,14H,4-9H2,1-3H3
InChIKeyNFBALFRGJFIWTH-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.03
Rot. Bonds6

About 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one

3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one (PubChem CID 83255170) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one
PubChem CID83255170
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one
SMILESCCC1NC(CC)N(CCN(C)C2CC2)C1=O
InChIInChI=1S/C13H25N3O/c1-4-11-13(17)16(12(5-2)14-11)9-8-15(3)10-6-7-10/h10-12,14H,4-9H2,1-3H3
InChIKeyNFBALFRGJFIWTH-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one (CID 83255170) is 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one is CCC1NC(CC)N(CCN(C)C2CC2)C1=O.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one?
The InChIKey is NFBALFRGJFIWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-11-13(17)16(12(5-2)14-11)9-8-15(3)10-6-7-10/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one?
3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-diethylimidazolidin-4-one is sourced from PubChem (CID 83255170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).