2-prop-2-enyliminoethanamine

C5H10N2 — CID 140780374

IUPAC2-prop-2-enyliminoethanamine
SMILESC=CC/N=C/CN
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2,5H,1,3-4,6H2/b7-5+
InChIKeyLTSNYHYLRSJIPE-FNORWQNLSA-N
MW98.15 g/mol
LogP0.20
Rot. Bonds3

About 2-prop-2-enyliminoethanamine

2-prop-2-enyliminoethanamine (PubChem CID 140780374) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-prop-2-enyliminoethanamine.

Molecular Properties

Compound Name2-prop-2-enyliminoethanamine
PubChem CID140780374
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-prop-2-enyliminoethanamine
SMILESC=CC/N=C/CN
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2,5H,1,3-4,6H2/b7-5+
InChIKeyLTSNYHYLRSJIPE-FNORWQNLSA-N
XLogP0.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.20
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-prop-2-enyliminoethanamine?
The IUPAC name of 2-prop-2-enyliminoethanamine (CID 140780374) is 2-prop-2-enyliminoethanamine.
What is the SMILES notation for 2-prop-2-enyliminoethanamine?
The canonical SMILES for 2-prop-2-enyliminoethanamine is C=CC/N=C/CN.
What is the InChIKey of 2-prop-2-enyliminoethanamine?
The InChIKey is LTSNYHYLRSJIPE-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h2,5H,1,3-4,6H2/b7-5+.
What are the key properties of 2-prop-2-enyliminoethanamine?
2-prop-2-enyliminoethanamine has a molecular weight of 98.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyliminoethanamine is sourced from PubChem (CID 140780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).