[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine

C13H15N — CID 143605235

IUPAC[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
SMILES[H]/N=C/c1cc(/C(C)=C/C=C)ccc1C
InChIInChI=1S/C13H15N/c1-4-5-10(2)12-7-6-11(3)13(8-12)9-14/h4-9,14H,1H2,2-3H3/b10-5+,14-9+
InChIKeyPUHIIRLNUQCKGF-SEGXDNKWSA-N
MW185.27 g/mol
LogP3.58
Rot. Bonds3

About [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine

[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine (PubChem CID 143605235) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine.

Molecular Properties

Compound Name[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
PubChem CID143605235
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
SMILES[H]/N=C/c1cc(/C(C)=C/C=C)ccc1C
InChIInChI=1S/C13H15N/c1-4-5-10(2)12-7-6-11(3)13(8-12)9-14/h4-9,14H,1H2,2-3H3/b10-5+,14-9+
InChIKeyPUHIIRLNUQCKGF-SEGXDNKWSA-N
XLogP3.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
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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Related Compounds

[2-methyl-5-[(3E)-penta-1,3-dien-3-yl]phenyl]methanimine
CID 145262211
(E)-3-(3-ethenyl-4-methylphenyl)but-2-enal
CID 20652501
[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 166874365
3-methanimidoyl-4-methylaniline
CID 142987257
1-bromo-3-[(2E)-penta-2,4-dien-2-yl]benzene
CID 137396567
(2Z)-N-[(2E)-3,4-diphenylpenta-2,4-dien-2-yl]-3-(3-methanimidoyl-4-methylphenyl)-4-methylhexa-2,4,5-trien-2-amine
CID 134315546
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
1,2-dimethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]benzene;ethane
CID 177145021
1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene
CID 144787986
(2E,4E,6E)-4-ethenyl-7-fluoro-1-(4-fluoro-3-methanimidoylphenyl)octa-2,4,6-trien-1-imine
CID 142836054
2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
CID 145498149
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine?
The IUPAC name of [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine (CID 143605235) is [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine.
What is the SMILES notation for [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine?
The canonical SMILES for [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine is [H]/N=C/c1cc(/C(C)=C/C=C)ccc1C.
What is the InChIKey of [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine?
The InChIKey is PUHIIRLNUQCKGF-SEGXDNKWSA-N. The full InChI is InChI=1S/C13H15N/c1-4-5-10(2)12-7-6-11(3)13(8-12)9-14/h4-9,14H,1H2,2-3H3/b10-5+,14-9+.
What are the key properties of [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine?
[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine has a molecular weight of 185.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine is sourced from PubChem (CID 143605235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).