3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea

C8H17N3O — CID 173449236

IUPAC3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea
SMILESC=CCN(CC)C(=O)NCCN
InChIInChI=1S/C8H17N3O/c1-3-7-11(4-2)8(12)10-6-5-9/h3H,1,4-7,9H2,2H3,(H,10,12)
InChIKeyOXYZGLBETPAHLQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.16
Rot. Bonds5

About 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea

3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea (PubChem CID 173449236) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea
PubChem CID173449236
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea
SMILESC=CCN(CC)C(=O)NCCN
InChIInChI=1S/C8H17N3O/c1-3-7-11(4-2)8(12)10-6-5-9/h3H,1,4-7,9H2,2H3,(H,10,12)
InChIKeyOXYZGLBETPAHLQ-UHFFFAOYSA-N
XLogP0.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea?
The IUPAC name of 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea (CID 173449236) is 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea.
What is the SMILES notation for 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea?
The canonical SMILES for 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea is C=CCN(CC)C(=O)NCCN.
What is the InChIKey of 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea?
The InChIKey is OXYZGLBETPAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-7-11(4-2)8(12)10-6-5-9/h3H,1,4-7,9H2,2H3,(H,10,12).
What are the key properties of 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea?
3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea has a molecular weight of 171.24 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-ethyl-1-prop-2-enylurea is sourced from PubChem (CID 173449236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).