N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine

C8H11N3 — CID 174047678

IUPACN-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine
SMILESC=CC=NC(=C)N(C=C)N=C
InChIInChI=1S/C8H11N3/c1-5-7-10-8(3)11(6-2)9-4/h5-7H,1-4H2
InChIKeyAEFBERAZBOODFK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.78
Rot. Bonds5

About N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine

N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine (PubChem CID 174047678) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine.

Molecular Properties

Compound NameN-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine
PubChem CID174047678
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine
SMILESC=CC=NC(=C)N(C=C)N=C
InChIInChI=1S/C8H11N3/c1-5-7-10-8(3)11(6-2)9-4/h5-7H,1-4H2
InChIKeyAEFBERAZBOODFK-UHFFFAOYSA-N
XLogP1.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine?
The IUPAC name of N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine (CID 174047678) is N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine.
What is the SMILES notation for N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine?
The canonical SMILES for N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine is C=CC=NC(=C)N(C=C)N=C.
What is the InChIKey of N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine?
The InChIKey is AEFBERAZBOODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-7-10-8(3)11(6-2)9-4/h5-7H,1-4H2.
What are the key properties of N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine?
N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine has a molecular weight of 149.20 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(methylideneamino)-1-(prop-2-enylideneamino)ethenamine is sourced from PubChem (CID 174047678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).