N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine

C12H14N2 — CID 155030531

IUPACN-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/CC)c1ccncc1
InChIInChI=1S/C12H14N2/c1-3-4-11(5-8-13-2)12-6-9-14-10-7-12/h4-10H,2-3H2,1H3/b8-5-,11-4+
InChIKeyDDCDWIRLKGDOHI-CDXXIHCBSA-N
MW186.26 g/mol
LogP3.09
Rot. Bonds4

About N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine

N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine (PubChem CID 155030531) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine
PubChem CID155030531
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/CC)c1ccncc1
InChIInChI=1S/C12H14N2/c1-3-4-11(5-8-13-2)12-6-9-14-10-7-12/h4-10H,2-3H2,1H3/b8-5-,11-4+
InChIKeyDDCDWIRLKGDOHI-CDXXIHCBSA-N
XLogP3.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.09
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine (CID 155030531) is N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine is C=N/C=C\C(=C/CC)c1ccncc1.
What is the InChIKey of N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine?
The InChIKey is DDCDWIRLKGDOHI-CDXXIHCBSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-4-11(5-8-13-2)12-6-9-14-10-7-12/h4-10H,2-3H2,1H3/b8-5-,11-4+.
What are the key properties of N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine?
N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine has a molecular weight of 186.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 155030531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).