2-[(Z)-2-aminoethenyl]imino-N-methylethanamine

C5H11N3 — CID 121451404

IUPAC2-[(Z)-2-aminoethenyl]imino-N-methylethanamine
SMILESCNC/C=N/C=C\N
InChIInChI=1S/C5H11N3/c1-7-4-5-8-3-2-6/h2-3,5,7H,4,6H2,1H3/b3-2-,8-5+
InChIKeyAJVTUQUUIPHRAE-JGWPUVKASA-N
MW113.16 g/mol
LogP-0.29
Rot. Bonds3

About 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine

2-[(Z)-2-aminoethenyl]imino-N-methylethanamine (PubChem CID 121451404) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine.

Molecular Properties

Compound Name2-[(Z)-2-aminoethenyl]imino-N-methylethanamine
PubChem CID121451404
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-[(Z)-2-aminoethenyl]imino-N-methylethanamine
SMILESCNC/C=N/C=C\N
InChIInChI=1S/C5H11N3/c1-7-4-5-8-3-2-6/h2-3,5,7H,4,6H2,1H3/b3-2-,8-5+
InChIKeyAJVTUQUUIPHRAE-JGWPUVKASA-N
XLogP-0.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.29
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-[(Z)-2-aminoethenyl]imino-N-methylethanamine?
The IUPAC name of 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine (CID 121451404) is 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine.
What is the SMILES notation for 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine?
The canonical SMILES for 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine is CNC/C=N/C=C\N.
What is the InChIKey of 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine?
The InChIKey is AJVTUQUUIPHRAE-JGWPUVKASA-N. The full InChI is InChI=1S/C5H11N3/c1-7-4-5-8-3-2-6/h2-3,5,7H,4,6H2,1H3/b3-2-,8-5+.
What are the key properties of 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine?
2-[(Z)-2-aminoethenyl]imino-N-methylethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoethenyl]imino-N-methylethanamine is sourced from PubChem (CID 121451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).