N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine

C10H12N2 — CID 88874862

IUPACN-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine
SMILESC=N/C=C\C(=C)C(=C)/C=C\N=C
InChIInChI=1S/C10H12N2/c1-9(5-7-11-3)10(2)6-8-12-4/h5-8H,1-4H2/b7-5-,8-6-
InChIKeyZVRNYRHJVHXWEF-SFECMWDFSA-N
MW160.22 g/mol
LogP2.53
Rot. Bonds5

About N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine

N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine (PubChem CID 88874862) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine
PubChem CID88874862
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine
SMILESC=N/C=C\C(=C)C(=C)/C=C\N=C
InChIInChI=1S/C10H12N2/c1-9(5-7-11-3)10(2)6-8-12-4/h5-8H,1-4H2/b7-5-,8-6-
InChIKeyZVRNYRHJVHXWEF-SFECMWDFSA-N
XLogP2.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine 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 N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine?
The IUPAC name of N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine (CID 88874862) is N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine?
The canonical SMILES for N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine is C=N/C=C\C(=C)C(=C)/C=C\N=C.
What is the InChIKey of N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine?
The InChIKey is ZVRNYRHJVHXWEF-SFECMWDFSA-N. The full InChI is InChI=1S/C10H12N2/c1-9(5-7-11-3)10(2)6-8-12-4/h5-8H,1-4H2/b7-5-,8-6-.
What are the key properties of N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine?
N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine has a molecular weight of 160.22 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,5Z)-3,4-dimethylidene-6-(methylideneamino)hexa-1,5-dienyl]methanimine is sourced from PubChem (CID 88874862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).