N-ethenyl-1-(propylideneamino)ethenamine

C7H12N2 — CID 173487627

IUPACN-ethenyl-1-(propylideneamino)ethenamine
SMILESC=CNC(=C)N=CCC
InChIInChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h5-6,8H,2-4H2,1H3
InChIKeyOMEYQFHZPNHVGT-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds4

About N-ethenyl-1-(propylideneamino)ethenamine

N-ethenyl-1-(propylideneamino)ethenamine (PubChem CID 173487627) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethenyl-1-(propylideneamino)ethenamine.

Molecular Properties

Compound NameN-ethenyl-1-(propylideneamino)ethenamine
PubChem CID173487627
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethenyl-1-(propylideneamino)ethenamine
SMILESC=CNC(=C)N=CCC
InChIInChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h5-6,8H,2-4H2,1H3
InChIKeyOMEYQFHZPNHVGT-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
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 N-ethenyl-1-(propylideneamino)ethenamine?
The IUPAC name of N-ethenyl-1-(propylideneamino)ethenamine (CID 173487627) is N-ethenyl-1-(propylideneamino)ethenamine.
What is the SMILES notation for N-ethenyl-1-(propylideneamino)ethenamine?
The canonical SMILES for N-ethenyl-1-(propylideneamino)ethenamine is C=CNC(=C)N=CCC.
What is the InChIKey of N-ethenyl-1-(propylideneamino)ethenamine?
The InChIKey is OMEYQFHZPNHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6-9-7(3)8-5-2/h5-6,8H,2-4H2,1H3.
What are the key properties of N-ethenyl-1-(propylideneamino)ethenamine?
N-ethenyl-1-(propylideneamino)ethenamine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-(propylideneamino)ethenamine is sourced from PubChem (CID 173487627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).