[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine

C13H15N — CID 166874365

IUPAC[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
SMILES[H]/N=C/c1c(C)cccc1/C(C)=C\C=C
InChIInChI=1S/C13H15N/c1-4-6-10(2)12-8-5-7-11(3)13(12)9-14/h4-9,14H,1H2,2-3H3/b10-6-,14-9+
InChIKeyYRFIYBKHMFQSEL-QGHFCHCFSA-N
MW185.27 g/mol
LogP3.58
Rot. Bonds3

About [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine

[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine (PubChem CID 166874365) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine.

Molecular Properties

Compound Name[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
PubChem CID166874365
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name[2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine
SMILES[H]/N=C/c1c(C)cccc1/C(C)=C\C=C
InChIInChI=1S/C13H15N/c1-4-6-10(2)12-8-5-7-11(3)13(12)9-14/h4-9,14H,1H2,2-3H3/b10-6-,14-9+
InChIKeyYRFIYBKHMFQSEL-QGHFCHCFSA-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-ethenyl-6-methylphenyl)methanimine
CID 156888236
(Z)-3-(2-methylphenyl)but-2-en-1-imine
CID 118097726
[2-methyl-5-[(2E)-penta-2,4-dien-2-yl]phenyl]methanimine
CID 143605235
(2-methyl-6-propan-2-ylphenyl)methanimine
CID 130224626
[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine
CID 163860478
1-methyl-3-methylsulfanyl-2-[(2E)-penta-2,4-dien-2-yl]benzene
CID 145447522
2-methanimidoyl-3-prop-1-en-2-ylaniline
CID 169152001
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
2-[(E)-but-2-en-2-yl]-6-methylbenzaldehyde
CID 142437839
1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
CID 142381908
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine?
The IUPAC name of [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine (CID 166874365) is [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine.
What is the SMILES notation for [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine?
The canonical SMILES for [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine is [H]/N=C/c1c(C)cccc1/C(C)=C\C=C.
What is the InChIKey of [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine?
The InChIKey is YRFIYBKHMFQSEL-QGHFCHCFSA-N. The full InChI is InChI=1S/C13H15N/c1-4-6-10(2)12-8-5-7-11(3)13(12)9-14/h4-9,14H,1H2,2-3H3/b10-6-,14-9+.
What are the key properties of [2-methyl-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine?
[2-methyl-6-[(2Z)-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-6-[(2Z)-penta-2,4-dien-2-yl]phenyl]methanimine is sourced from PubChem (CID 166874365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).