(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine

C15H17N — CID 129227645

IUPAC(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
SMILESC=CC(=C\C=C/C)/C(=N/C)c1ccccc1
InChIInChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-12H,2H2,1,3H3/b6-4-,13-10+,16-15-
InChIKeyAWVGHMIFRPIDDD-GEXJTDPESA-N
MW211.31 g/mol
LogP3.79
Rot. Bonds4

About (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine

(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine (PubChem CID 129227645) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
PubChem CID129227645
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
SMILESC=CC(=C\C=C/C)/C(=N/C)c1ccccc1
InChIInChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-12H,2H2,1,3H3/b6-4-,13-10+,16-15-
InChIKeyAWVGHMIFRPIDDD-GEXJTDPESA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.79
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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Related Compounds

(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406
(E)-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenylbut-2-enedinitrile
CID 142275586
(1-phenylethylideneamino) (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 138565048
CID 177024832
CID 177024832
[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
CID 142235568
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
CID 142373254
(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N-[(2E)-1-amino-2-ethenylpenta-2,4-dienylidene]-N'-methylbenzenecarboximidamide
CID 142597638
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
CID 134240332

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine (CID 129227645) is (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine is C=CC(=C\C=C/C)/C(=N/C)c1ccccc1.
What is the InChIKey of (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine?
The InChIKey is AWVGHMIFRPIDDD-GEXJTDPESA-N. The full InChI is InChI=1S/C15H17N/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14/h4-12H,2H2,1,3H3/b6-4-,13-10+,16-15-.
What are the key properties of (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine?
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine has a molecular weight of 211.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine is sourced from PubChem (CID 129227645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).