(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine

C7H13N3O — CID 173478274

IUPAC(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine
SMILESC=C(N=C/C(N)=C\N)OCC
InChIInChI=1S/C7H13N3O/c1-3-11-6(2)10-5-7(9)4-8/h4-5H,2-3,8-9H2,1H3/b7-4+,10-5?
InChIKeyLPURCRPOCBOOBS-BXHZIHGASA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds4

About (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine

(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine (PubChem CID 173478274) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine
PubChem CID173478274
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine
SMILESC=C(N=C/C(N)=C\N)OCC
InChIInChI=1S/C7H13N3O/c1-3-11-6(2)10-5-7(9)4-8/h4-5H,2-3,8-9H2,1H3/b7-4+,10-5?
InChIKeyLPURCRPOCBOOBS-BXHZIHGASA-N
XLogP0.32
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine (CID 173478274) is (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine is C=C(N=C/C(N)=C\N)OCC.
What is the InChIKey of (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine?
The InChIKey is LPURCRPOCBOOBS-BXHZIHGASA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-11-6(2)10-5-7(9)4-8/h4-5H,2-3,8-9H2,1H3/b7-4+,10-5?.
What are the key properties of (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine?
(E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethoxyethenylimino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 173478274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).