1-(propylideneamino)ethenamine

C5H10N2 — CID 154548157

IUPAC1-(propylideneamino)ethenamine
SMILESC=C(N)N=CCC
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4H,2-3,6H2,1H3
InChIKeyILWGVURBMHQTQW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.90
Rot. Bonds2

About 1-(propylideneamino)ethenamine

1-(propylideneamino)ethenamine (PubChem CID 154548157) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-(propylideneamino)ethenamine.

Molecular Properties

Compound Name1-(propylideneamino)ethenamine
PubChem CID154548157
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name1-(propylideneamino)ethenamine
SMILESC=C(N)N=CCC
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4H,2-3,6H2,1H3
InChIKeyILWGVURBMHQTQW-UHFFFAOYSA-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 1-(propylideneamino)ethenamine?
The IUPAC name of 1-(propylideneamino)ethenamine (CID 154548157) is 1-(propylideneamino)ethenamine.
What is the SMILES notation for 1-(propylideneamino)ethenamine?
The canonical SMILES for 1-(propylideneamino)ethenamine is C=C(N)N=CCC.
What is the InChIKey of 1-(propylideneamino)ethenamine?
The InChIKey is ILWGVURBMHQTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7-5(2)6/h4H,2-3,6H2,1H3.
What are the key properties of 1-(propylideneamino)ethenamine?
1-(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 1-(propylideneamino)ethenamine is sourced from PubChem (CID 154548157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).