1-(1-aminoethyl)-3-ethylideneurea

C5H11N3O — CID 174316476

IUPAC1-(1-aminoethyl)-3-ethylideneurea
SMILESCC=NC(=O)NC(C)N
InChIInChI=1S/C5H11N3O/c1-3-7-5(9)8-4(2)6/h3-4H,6H2,1-2H3,(H,8,9)
InChIKeyGJQFYMJAHKMWKK-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.09
Rot. Bonds1

About 1-(1-aminoethyl)-3-ethylideneurea

1-(1-aminoethyl)-3-ethylideneurea (PubChem CID 174316476) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(1-aminoethyl)-3-ethylideneurea.

Molecular Properties

Compound Name1-(1-aminoethyl)-3-ethylideneurea
PubChem CID174316476
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1-(1-aminoethyl)-3-ethylideneurea
SMILESCC=NC(=O)NC(C)N
InChIInChI=1S/C5H11N3O/c1-3-7-5(9)8-4(2)6/h3-4H,6H2,1-2H3,(H,8,9)
InChIKeyGJQFYMJAHKMWKK-UHFFFAOYSA-N
XLogP0.09
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-3-ethylideneurea?
The IUPAC name of 1-(1-aminoethyl)-3-ethylideneurea (CID 174316476) is 1-(1-aminoethyl)-3-ethylideneurea.
What is the SMILES notation for 1-(1-aminoethyl)-3-ethylideneurea?
The canonical SMILES for 1-(1-aminoethyl)-3-ethylideneurea is CC=NC(=O)NC(C)N.
What is the InChIKey of 1-(1-aminoethyl)-3-ethylideneurea?
The InChIKey is GJQFYMJAHKMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-7-5(9)8-4(2)6/h3-4H,6H2,1-2H3,(H,8,9).
What are the key properties of 1-(1-aminoethyl)-3-ethylideneurea?
1-(1-aminoethyl)-3-ethylideneurea has a molecular weight of 129.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-3-ethylideneurea is sourced from PubChem (CID 174316476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).