(E)-2-(propylideneamino)ethenamine

C5H10N2 — CID 163447829

IUPAC(E)-2-(propylideneamino)ethenamine
SMILESCC/C=N/C=C/N
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-5H,2,6H2,1H3/b5-3+,7-4+
InChIKeyBDZTWNIYYYKOEU-HJIKTHEYSA-N
MW98.15 g/mol
LogP0.90
Rot. Bonds2

About (E)-2-(propylideneamino)ethenamine

(E)-2-(propylideneamino)ethenamine (PubChem CID 163447829) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (E)-2-(propylideneamino)ethenamine.

Molecular Properties

Compound Name(E)-2-(propylideneamino)ethenamine
PubChem CID163447829
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(E)-2-(propylideneamino)ethenamine
SMILESCC/C=N/C=C/N
InChIInChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-5H,2,6H2,1H3/b5-3+,7-4+
InChIKeyBDZTWNIYYYKOEU-HJIKTHEYSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-(propylideneamino)ethenamine?
The IUPAC name of (E)-2-(propylideneamino)ethenamine (CID 163447829) is (E)-2-(propylideneamino)ethenamine.
What is the SMILES notation for (E)-2-(propylideneamino)ethenamine?
The canonical SMILES for (E)-2-(propylideneamino)ethenamine is CC/C=N/C=C/N.
What is the InChIKey of (E)-2-(propylideneamino)ethenamine?
The InChIKey is BDZTWNIYYYKOEU-HJIKTHEYSA-N. The full InChI is InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h3-5H,2,6H2,1H3/b5-3+,7-4+.
What are the key properties of (E)-2-(propylideneamino)ethenamine?
(E)-2-(propylideneamino)ethenamine has a molecular weight of 98.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(propylideneamino)ethenamine is sourced from PubChem (CID 163447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).