(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine

C14H17N — CID 89227013

IUPAC(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C/C=C\C)/CC)\c1ccccc1
InChIInChI=1S/C14H17N/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3,5-11,15H,4H2,1-2H3/b5-3-,12-9+,15-14-
InChIKeyBEBCVBYYDWFPOV-PNFLGPGCSA-N
MW199.30 g/mol
LogP3.97
Rot. Bonds4

About (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine

(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine (PubChem CID 89227013) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
PubChem CID89227013
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
SMILES[H]/N=C(C(=C/C=C\C)/CC)\c1ccccc1
InChIInChI=1S/C14H17N/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3,5-11,15H,4H2,1-2H3/b5-3-,12-9+,15-14-
InChIKeyBEBCVBYYDWFPOV-PNFLGPGCSA-N
XLogP3.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.97
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

Acetophenone oxime
CID 5464950
Diphenylmethylidenehydrazine
CID 79304
2-(1-Phenylethylidene)hydrazinecarboximidamide
CID 5916478
Acetophenonoxime
CID 69185
4'-Fluoroacetophenone oxime
CID 5382861
Diphenylethanedione dihydrazone
CID 5356523
1-Phenylethanone 2-(1-phenylethylidene)hydrazone
CID 95250
Ethanone, 1-phenyl-, 2-(1-phenylethylidene)hydrazone
CID 5367154
1,1'-(Diazomethylene)bis(benzene)
CID 61230
Benzophenone imine
CID 136809
2-[(E)-1-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
CID 9573034
2-[1-(4-Methylphenyl)ethylideneamino]guanidine
CID 2831841

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine (CID 89227013) is (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine is [H]/N=C(C(=C/C=C\C)/CC)\c1ccccc1.
What is the InChIKey of (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine?
The InChIKey is BEBCVBYYDWFPOV-PNFLGPGCSA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-9-12(4-2)14(15)13-10-7-6-8-11-13/h3,5-11,15H,4H2,1-2H3/b5-3-,12-9+,15-14-.
What are the key properties of (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine?
(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine has a molecular weight of 199.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine is sourced from PubChem (CID 89227013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).