2-[(E)-but-2-enyl]iminoethanamine

C6H12N2 — CID 89368769

IUPAC2-[(E)-but-2-enyl]iminoethanamine
SMILESC/C=C/C/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2+,8-6+
InChIKeyYNVGBSCNOVEUGH-IQMDXYROSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 2-[(E)-but-2-enyl]iminoethanamine

2-[(E)-but-2-enyl]iminoethanamine (PubChem CID 89368769) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]iminoethanamine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]iminoethanamine
PubChem CID89368769
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-[(E)-but-2-enyl]iminoethanamine
SMILESC/C=C/C/N=C/CN
InChIInChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2+,8-6+
InChIKeyYNVGBSCNOVEUGH-IQMDXYROSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]iminoethanamine?
The IUPAC name of 2-[(E)-but-2-enyl]iminoethanamine (CID 89368769) is 2-[(E)-but-2-enyl]iminoethanamine.
What is the SMILES notation for 2-[(E)-but-2-enyl]iminoethanamine?
The canonical SMILES for 2-[(E)-but-2-enyl]iminoethanamine is C/C=C/C/N=C/CN.
What is the InChIKey of 2-[(E)-but-2-enyl]iminoethanamine?
The InChIKey is YNVGBSCNOVEUGH-IQMDXYROSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h2-3,6H,4-5,7H2,1H3/b3-2+,8-6+.
What are the key properties of 2-[(E)-but-2-enyl]iminoethanamine?
2-[(E)-but-2-enyl]iminoethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]iminoethanamine is sourced from PubChem (CID 89368769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).