1-ethyl-1,3-dimethylurea

C5H12N2O — CID 18954292

IUPAC1-ethyl-1,3-dimethylurea
SMILESCCN(C)C(=O)NC
InChIInChI=1S/C5H12N2O/c1-4-7(3)5(8)6-2/h4H2,1-3H3,(H,6,8)
InChIKeyGGYRVEUCCUJDFK-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.28
Rot. Bonds1

About 1-ethyl-1,3-dimethylurea

1-ethyl-1,3-dimethylurea (PubChem CID 18954292) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylurea
PubChem CID18954292
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-ethyl-1,3-dimethylurea
SMILESCCN(C)C(=O)NC
InChIInChI=1S/C5H12N2O/c1-4-7(3)5(8)6-2/h4H2,1-3H3,(H,6,8)
InChIKeyGGYRVEUCCUJDFK-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethylurea?
The IUPAC name of 1-ethyl-1,3-dimethylurea (CID 18954292) is 1-ethyl-1,3-dimethylurea.
What is the SMILES notation for 1-ethyl-1,3-dimethylurea?
The canonical SMILES for 1-ethyl-1,3-dimethylurea is CCN(C)C(=O)NC.
What is the InChIKey of 1-ethyl-1,3-dimethylurea?
The InChIKey is GGYRVEUCCUJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-7(3)5(8)6-2/h4H2,1-3H3,(H,6,8).
What are the key properties of 1-ethyl-1,3-dimethylurea?
1-ethyl-1,3-dimethylurea has a molecular weight of 116.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethylurea is sourced from PubChem (CID 18954292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).