N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine

C13H15N — CID 90434181

IUPACN-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)c1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-12(9-10-14-3)13-7-5-11(2)6-8-13/h4-10H,3H2,1-2H3/b10-9-,12-4+
InChIKeyNAOJXGWDTDNHNY-MMQHMWHNSA-N
MW185.27 g/mol
LogP3.61
Rot. Bonds3

About N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine

N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine (PubChem CID 90434181) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
PubChem CID90434181
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)c1ccc(C)cc1
InChIInChI=1S/C13H15N/c1-4-12(9-10-14-3)13-7-5-11(2)6-8-13/h4-10H,3H2,1-2H3/b10-9-,12-4+
InChIKeyNAOJXGWDTDNHNY-MMQHMWHNSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-methylphenyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine (CID 90434181) is N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)c1ccc(C)cc1.
What is the InChIKey of N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine?
The InChIKey is NAOJXGWDTDNHNY-MMQHMWHNSA-N. The full InChI is InChI=1S/C13H15N/c1-4-12(9-10-14-3)13-7-5-11(2)6-8-13/h4-10H,3H2,1-2H3/b10-9-,12-4+.
What are the key properties of N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine has a molecular weight of 185.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-(4-methylphenyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 90434181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).