N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine

C10H14N2 — CID 129049121

IUPACN-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(/C=C/N=C)=C(C)C
InChIInChI=1S/C10H14N2/c1-9(2)10(5-7-11-3)6-8-12-4/h5-8H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyXNVYGZWRRRQJHV-SFECMWDFSA-N
MW162.24 g/mol
LogP2.75
Rot. Bonds4

About N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine

N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine (PubChem CID 129049121) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine
PubChem CID129049121
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(/C=C/N=C)=C(C)C
InChIInChI=1S/C10H14N2/c1-9(2)10(5-7-11-3)6-8-12-4/h5-8H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyXNVYGZWRRRQJHV-SFECMWDFSA-N
XLogP2.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.75
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)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-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)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine (CID 129049121) is N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine is C=N/C=C\C(/C=C/N=C)=C(C)C.
What is the InChIKey of N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine?
The InChIKey is XNVYGZWRRRQJHV-SFECMWDFSA-N. The full InChI is InChI=1S/C10H14N2/c1-9(2)10(5-7-11-3)6-8-12-4/h5-8H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine?
N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine has a molecular weight of 162.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 129049121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).