1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one

C10H21N3O — CID 112546491

IUPAC1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
SMILESCCN1CCN(CC(C)CNC)C1=O
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(10(12)14)8-9(2)7-11-3/h9,11H,4-8H2,1-3H3
InChIKeyYXWSALDVQBNRQR-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.60
Rot. Bonds5

About 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one

1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one (PubChem CID 112546491) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
PubChem CID112546491
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
SMILESCCN1CCN(CC(C)CNC)C1=O
InChIInChI=1S/C10H21N3O/c1-4-12-5-6-13(10(12)14)8-9(2)7-11-3/h9,11H,4-8H2,1-3H3
InChIKeyYXWSALDVQBNRQR-UHFFFAOYSA-N
XLogP0.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one (CID 112546491) is 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one is CCN1CCN(CC(C)CNC)C1=O.
What is the InChIKey of 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is YXWSALDVQBNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12-5-6-13(10(12)14)8-9(2)7-11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one?
1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 112546491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).