(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine

C14H17N — CID 158523336

IUPAC(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C(/C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H17N/c1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15/h4-10,15H,1-3H3/b5-4-,13-6+,15-7+
InChIKeyFEYCRHNPWUUZKP-GVXRUICRSA-N
MW199.30 g/mol
LogP3.91
Rot. Bonds3

About (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine

(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine (PubChem CID 158523336) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine
PubChem CID158523336
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C(/C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H17N/c1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15/h4-10,15H,1-3H3/b5-4-,13-6+,15-7+
InChIKeyFEYCRHNPWUUZKP-GVXRUICRSA-N
XLogP3.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.91
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

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CID 142990186
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[(E)-2-(3,5-dimethylphenyl)prop-1-enyl]-trimethylsilane
CID 11506793
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
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methyl (Z)-3-(3,5-dimethylphenyl)but-2-enoate
CID 11790323
3-imino-1-(3-methylphenyl)prop-1-en-1-amine
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(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
(Z)-3-(2-methylphenyl)but-2-en-1-imine
CID 118097726
(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
CID 143882547
(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine
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CID 90945555

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine (CID 158523336) is (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine is [H]/N=C/C=C\C=C(/C)c1cc(C)cc(C)c1.
What is the InChIKey of (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine?
The InChIKey is FEYCRHNPWUUZKP-GVXRUICRSA-N. The full InChI is InChI=1S/C14H17N/c1-11-8-12(2)10-14(9-11)13(3)6-4-5-7-15/h4-10,15H,1-3H3/b5-4-,13-6+,15-7+.
What are the key properties of (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine?
(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 158523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).