2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine

C6H11N3 — CID 134360983

IUPAC2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine
SMILESC/C=C/C=N/C=C(N)N
InChIInChI=1S/C6H11N3/c1-2-3-4-9-5-6(7)8/h2-5H,7-8H2,1H3/b3-2+,9-4+
InChIKeyPFHINAQCYVOWHJ-DSXPNFDZSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine

2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine (PubChem CID 134360983) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine.

Molecular Properties

Compound Name2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine
PubChem CID134360983
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine
SMILESC/C=C/C=N/C=C(N)N
InChIInChI=1S/C6H11N3/c1-2-3-4-9-5-6(7)8/h2-5H,7-8H2,1H3/b3-2+,9-4+
InChIKeyPFHINAQCYVOWHJ-DSXPNFDZSA-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 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine?
The IUPAC name of 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine (CID 134360983) is 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine.
What is the SMILES notation for 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine?
The canonical SMILES for 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine is C/C=C/C=N/C=C(N)N.
What is the InChIKey of 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine?
The InChIKey is PFHINAQCYVOWHJ-DSXPNFDZSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-4-9-5-6(7)8/h2-5H,7-8H2,1H3/b3-2+,9-4+.
What are the key properties of 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine?
2-[[(E)-but-2-enylidene]amino]ethene-1,1-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 2-[[(E)-but-2-enylidene]amino]ethene-1,1-diamine is sourced from PubChem (CID 134360983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).