3-amino-1-ethyl-1-methylurea

C4H11N3O — CID 43263702

IUPAC3-amino-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NN
InChIInChI=1S/C4H11N3O/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8)
InChIKeyUHAQAUKTBHUDGG-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.48
Rot. Bonds1

About 3-amino-1-ethyl-1-methylurea

3-amino-1-ethyl-1-methylurea (PubChem CID 43263702) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-amino-1-ethyl-1-methylurea
PubChem CID43263702
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3-amino-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NN
InChIInChI=1S/C4H11N3O/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8)
InChIKeyUHAQAUKTBHUDGG-UHFFFAOYSA-N
XLogP-0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-methylurea?
The IUPAC name of 3-amino-1-ethyl-1-methylurea (CID 43263702) is 3-amino-1-ethyl-1-methylurea.
What is the SMILES notation for 3-amino-1-ethyl-1-methylurea?
The canonical SMILES for 3-amino-1-ethyl-1-methylurea is CCN(C)C(=O)NN.
What is the InChIKey of 3-amino-1-ethyl-1-methylurea?
The InChIKey is UHAQAUKTBHUDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3-7(2)4(8)6-5/h3,5H2,1-2H3,(H,6,8).
What are the key properties of 3-amino-1-ethyl-1-methylurea?
3-amino-1-ethyl-1-methylurea has a molecular weight of 117.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-methylurea is sourced from PubChem (CID 43263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).