(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine

C6H11N3 — CID 89025483

IUPAC(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine
SMILESC=C(C)/N=C/C(N)=C\N
InChIInChI=1S/C6H11N3/c1-5(2)9-4-6(8)3-7/h3-4H,1,7-8H2,2H3/b6-3+,9-4+
InChIKeyWXXRIEPBUUIHJC-PLPQCDBPSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

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

(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine (PubChem CID 89025483) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine
PubChem CID89025483
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine
SMILESC=C(C)/N=C/C(N)=C\N
InChIInChI=1S/C6H11N3/c1-5(2)9-4-6(8)3-7/h3-4H,1,7-8H2,2H3/b6-3+,9-4+
InChIKeyWXXRIEPBUUIHJC-PLPQCDBPSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine?
The IUPAC name of (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine (CID 89025483) is (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine is C=C(C)/N=C/C(N)=C\N.
What is the InChIKey of (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine?
The InChIKey is WXXRIEPBUUIHJC-PLPQCDBPSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-4-6(8)3-7/h3-4H,1,7-8H2,2H3/b6-3+,9-4+.
What are the key properties of (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine?
(E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine has a molecular weight of 125.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-prop-1-en-2-yliminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 89025483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).