N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine

C13H18N2 — CID 126746594

IUPACN-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)C1=NC=CCC1C
InChIInChI=1S/C13H18N2/c1-10-6-5-9-15-13(10)11(2)7-8-12(3)14-4/h5,7-10H,4,6H2,1-3H3/b11-7+,12-8-
InChIKeyLEWGLOGRIMXOQO-RLCSYUECSA-N
MW202.30 g/mol
LogP3.53
Rot. Bonds3

About N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine (PubChem CID 126746594) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
PubChem CID126746594
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C(/C)C1=NC=CCC1C
InChIInChI=1S/C13H18N2/c1-10-6-5-9-15-13(10)11(2)7-8-12(3)14-4/h5,7-10H,4,6H2,1-3H3/b11-7+,12-8-
InChIKeyLEWGLOGRIMXOQO-RLCSYUECSA-N
XLogP3.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.53
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-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]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-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine (CID 126746594) is N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C=C(/C)C1=NC=CCC1C.
What is the InChIKey of N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine?
The InChIKey is LEWGLOGRIMXOQO-RLCSYUECSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-6-5-9-15-13(10)11(2)7-8-12(3)14-4/h5,7-10H,4,6H2,1-3H3/b11-7+,12-8-.
What are the key properties of N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine has a molecular weight of 202.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-(3-methyl-3,4-dihydropyridin-2-yl)hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 126746594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).