(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine

C9H11N — CID 163564879

IUPAC(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
SMILESC=C/C=C/C=C/C=N/C=C
InChIInChI=1S/C9H11N/c1-3-5-6-7-8-9-10-4-2/h3-9H,1-2H2/b6-5+,8-7+,10-9+
InChIKeyFUIYWEJKECGJMN-SUTYWZMXSA-N
MW133.19 g/mol
LogP2.50
Rot. Bonds4

About (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine

(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine (PubChem CID 163564879) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
PubChem CID163564879
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
SMILESC=C/C=C/C=C/C=N/C=C
InChIInChI=1S/C9H11N/c1-3-5-6-7-8-9-10-4-2/h3-9H,1-2H2/b6-5+,8-7+,10-9+
InChIKeyFUIYWEJKECGJMN-SUTYWZMXSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.50
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

ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
CID 88887838
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-ethenyl-5-methylhexa-2,4-dien-1-imine
CID 91120080
(2E)-N-[(1Z,3E)-penta-1,3-dienyl]penta-2,4-dien-1-imine
CID 144631744
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
(Z)-N-ethenyl-N'-ethylideneprop-2-ene-1,3-diimine
CID 126660383
(1E,3E)-hexa-1,3,5-trien-1-amine
CID 19883152
(1E,3E,5E)-octa-1,3,5,7-tetraen-1-amine
CID 102095281
cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
[(2Z)-penta-2,4-dienylidene]cyanamide
CID 89025205

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine (CID 163564879) is (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine is C=C/C=C/C=C/C=N/C=C.
What is the InChIKey of (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine?
The InChIKey is FUIYWEJKECGJMN-SUTYWZMXSA-N. The full InChI is InChI=1S/C9H11N/c1-3-5-6-7-8-9-10-4-2/h3-9H,1-2H2/b6-5+,8-7+,10-9+.
What are the key properties of (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine?
(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine is sourced from PubChem (CID 163564879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).