(Z)-2-(N-amino-4-methylanilino)ethenamine

C9H13N3 — CID 66612840

IUPAC(Z)-2-(N-amino-4-methylanilino)ethenamine
SMILESCc1ccc(N(N)/C=C\N)cc1
InChIInChI=1S/C9H13N3/c1-8-2-4-9(5-3-8)12(11)7-6-10/h2-7H,10-11H2,1H3/b7-6-
InChIKeyOYQKNYFTCWNAOD-SREVYHEPSA-N
MW163.22 g/mol
LogP1.11
Rot. Bonds2

About (Z)-2-(N-amino-4-methylanilino)ethenamine

(Z)-2-(N-amino-4-methylanilino)ethenamine (PubChem CID 66612840) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z)-2-(N-amino-4-methylanilino)ethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-4-methylanilino)ethenamine
PubChem CID66612840
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(Z)-2-(N-amino-4-methylanilino)ethenamine
SMILESCc1ccc(N(N)/C=C\N)cc1
InChIInChI=1S/C9H13N3/c1-8-2-4-9(5-3-8)12(11)7-6-10/h2-7H,10-11H2,1H3/b7-6-
InChIKeyOYQKNYFTCWNAOD-SREVYHEPSA-N
XLogP1.11
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(N-amino-4-methylanilino)ethenamine 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)-2-(N-amino-4-methylanilino)ethenamine?
The IUPAC name of (Z)-2-(N-amino-4-methylanilino)ethenamine (CID 66612840) is (Z)-2-(N-amino-4-methylanilino)ethenamine.
What is the SMILES notation for (Z)-2-(N-amino-4-methylanilino)ethenamine?
The canonical SMILES for (Z)-2-(N-amino-4-methylanilino)ethenamine is Cc1ccc(N(N)/C=C\N)cc1.
What is the InChIKey of (Z)-2-(N-amino-4-methylanilino)ethenamine?
The InChIKey is OYQKNYFTCWNAOD-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13N3/c1-8-2-4-9(5-3-8)12(11)7-6-10/h2-7H,10-11H2,1H3/b7-6-.
What are the key properties of (Z)-2-(N-amino-4-methylanilino)ethenamine?
(Z)-2-(N-amino-4-methylanilino)ethenamine has a molecular weight of 163.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-amino-4-methylanilino)ethenamine is sourced from PubChem (CID 66612840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).