1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea

C7H13N3O — CID 141047446

IUPAC1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
SMILESC=CN(C(=O)N=CC)C(C)N
InChIInChI=1S/C7H13N3O/c1-4-9-7(11)10(5-2)6(3)8/h4-6H,2,8H2,1,3H3
InChIKeyGXEXTDYPHPKPOE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.95
Rot. Bonds2

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

1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea (PubChem CID 141047446) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea.

Molecular Properties

Compound Name1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
PubChem CID141047446
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
SMILESC=CN(C(=O)N=CC)C(C)N
InChIInChI=1S/C7H13N3O/c1-4-9-7(11)10(5-2)6(3)8/h4-6H,2,8H2,1,3H3
InChIKeyGXEXTDYPHPKPOE-UHFFFAOYSA-N
XLogP0.95
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
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)-1-ethenyl-3-ethylideneurea?
The IUPAC name of 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea (CID 141047446) is 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea.
What is the SMILES notation for 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea?
The canonical SMILES for 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea is C=CN(C(=O)N=CC)C(C)N.
What is the InChIKey of 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea?
The InChIKey is GXEXTDYPHPKPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-9-7(11)10(5-2)6(3)8/h4-6H,2,8H2,1,3H3.
What are the key properties of 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea?
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea has a molecular weight of 155.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea is sourced from PubChem (CID 141047446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).