(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine

C6H9N3 — CID 118534621

IUPAC(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine
SMILESC=C/N=C/C=C\NN=C
InChIInChI=1S/C6H9N3/c1-3-8-5-4-6-9-7-2/h3-6,9H,1-2H2/b6-4-,8-5+
InChIKeyDRWLGLZQRPDUDE-QXMOYCCXSA-N
MW123.16 g/mol
LogP0.92
Rot. Bonds4

About (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine

(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine (PubChem CID 118534621) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine
PubChem CID118534621
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine
SMILESC=C/N=C/C=C\NN=C
InChIInChI=1S/C6H9N3/c1-3-8-5-4-6-9-7-2/h3-6,9H,1-2H2/b6-4-,8-5+
InChIKeyDRWLGLZQRPDUDE-QXMOYCCXSA-N
XLogP0.92
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
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'}

Analyze (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine (CID 118534621) is (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine is C=C/N=C/C=C\NN=C.
What is the InChIKey of (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine?
The InChIKey is DRWLGLZQRPDUDE-QXMOYCCXSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-8-5-4-6-9-7-2/h3-6,9H,1-2H2/b6-4-,8-5+.
What are the key properties of (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine?
(Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine has a molecular weight of 123.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenylimino-N-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 118534621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).