3-(1-aminoethylidene)-1-ethyl-1-methylurea

C6H13N3O — CID 123710252

IUPAC3-(1-aminoethylidene)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)N=C(C)N
InChIInChI=1S/C6H13N3O/c1-4-9(3)6(10)8-5(2)7/h4H2,1-3H3,(H2,7,8,10)
InChIKeyORDZTIFNLHWRMR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.44
Rot. Bonds1

About 3-(1-aminoethylidene)-1-ethyl-1-methylurea

3-(1-aminoethylidene)-1-ethyl-1-methylurea (PubChem CID 123710252) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(1-aminoethylidene)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(1-aminoethylidene)-1-ethyl-1-methylurea
PubChem CID123710252
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-(1-aminoethylidene)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)N=C(C)N
InChIInChI=1S/C6H13N3O/c1-4-9(3)6(10)8-5(2)7/h4H2,1-3H3,(H2,7,8,10)
InChIKeyORDZTIFNLHWRMR-UHFFFAOYSA-N
XLogP0.44
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethylidene)-1-ethyl-1-methylurea?
The IUPAC name of 3-(1-aminoethylidene)-1-ethyl-1-methylurea (CID 123710252) is 3-(1-aminoethylidene)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(1-aminoethylidene)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(1-aminoethylidene)-1-ethyl-1-methylurea is CCN(C)C(=O)N=C(C)N.
What is the InChIKey of 3-(1-aminoethylidene)-1-ethyl-1-methylurea?
The InChIKey is ORDZTIFNLHWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4-9(3)6(10)8-5(2)7/h4H2,1-3H3,(H2,7,8,10).
What are the key properties of 3-(1-aminoethylidene)-1-ethyl-1-methylurea?
3-(1-aminoethylidene)-1-ethyl-1-methylurea has a molecular weight of 143.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethylidene)-1-ethyl-1-methylurea is sourced from PubChem (CID 123710252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).