3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine

C9H14N4 — CID 89217043

IUPAC3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine
SMILESC=C/N=C/C(=N/C=C(/C)N)C(=C)N
InChIInChI=1S/C9H14N4/c1-4-12-6-9(8(3)11)13-5-7(2)10/h4-6H,1,3,10-11H2,2H3/b7-5-,12-6+,13-9-
InChIKeyHXUALIOFLMOTNE-MGOSHUDQSA-N
MW178.24 g/mol
LogP0.93
Rot. Bonds4

About 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine

3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine (PubChem CID 89217043) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine.

Molecular Properties

Compound Name3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine
PubChem CID89217043
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine
SMILESC=C/N=C/C(=N/C=C(/C)N)C(=C)N
InChIInChI=1S/C9H14N4/c1-4-12-6-9(8(3)11)13-5-7(2)10/h4-6H,1,3,10-11H2,2H3/b7-5-,12-6+,13-9-
InChIKeyHXUALIOFLMOTNE-MGOSHUDQSA-N
XLogP0.93
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine?
The IUPAC name of 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine (CID 89217043) is 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine.
What is the SMILES notation for 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine?
The canonical SMILES for 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine is C=C/N=C/C(=N/C=C(/C)N)C(=C)N.
What is the InChIKey of 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine?
The InChIKey is HXUALIOFLMOTNE-MGOSHUDQSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-12-6-9(8(3)11)13-5-7(2)10/h4-6H,1,3,10-11H2,2H3/b7-5-,12-6+,13-9-.
What are the key properties of 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine?
3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-aminoprop-1-enyl]imino-4-ethenyliminobut-1-en-2-amine is sourced from PubChem (CID 89217043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).