1-amino-1-ethyl-3-ethylideneurea

C5H11N3O — CID 151956805

IUPAC1-amino-1-ethyl-3-ethylideneurea
SMILESCC=NC(=O)N(N)CC
InChIInChI=1S/C5H11N3O/c1-3-7-5(9)8(6)4-2/h3H,4,6H2,1-2H3
InChIKeyTXUTUCSJRQZQFS-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.39
Rot. Bonds1

About 1-amino-1-ethyl-3-ethylideneurea

1-amino-1-ethyl-3-ethylideneurea (PubChem CID 151956805) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-amino-1-ethyl-3-ethylideneurea.

Molecular Properties

Compound Name1-amino-1-ethyl-3-ethylideneurea
PubChem CID151956805
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1-amino-1-ethyl-3-ethylideneurea
SMILESCC=NC(=O)N(N)CC
InChIInChI=1S/C5H11N3O/c1-3-7-5(9)8(6)4-2/h3H,4,6H2,1-2H3
InChIKeyTXUTUCSJRQZQFS-UHFFFAOYSA-N
XLogP0.39
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 1-amino-1-ethyl-3-ethylideneurea?
The IUPAC name of 1-amino-1-ethyl-3-ethylideneurea (CID 151956805) is 1-amino-1-ethyl-3-ethylideneurea.
What is the SMILES notation for 1-amino-1-ethyl-3-ethylideneurea?
The canonical SMILES for 1-amino-1-ethyl-3-ethylideneurea is CC=NC(=O)N(N)CC.
What is the InChIKey of 1-amino-1-ethyl-3-ethylideneurea?
The InChIKey is TXUTUCSJRQZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-7-5(9)8(6)4-2/h3H,4,6H2,1-2H3.
What are the key properties of 1-amino-1-ethyl-3-ethylideneurea?
1-amino-1-ethyl-3-ethylideneurea has a molecular weight of 129.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethyl-3-ethylideneurea is sourced from PubChem (CID 151956805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).