(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine

C18H21N — CID 144726128

IUPAC(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine
SMILES[H]N=C(/C=C(\C=C)C1=CCCC=C1)C(/C=C\C=C)=C/C
InChIInChI=1S/C18H21N/c1-4-7-11-15(5-2)18(19)14-16(6-3)17-12-9-8-10-13-17/h4-7,9,11-14,19H,1,3,8,10H2,2H3/b11-7-,15-5+,16-14+,19-18-
InChIKeyUCRFJHMDMGWAOK-PEVMXJSBSA-N
MW251.37 g/mol
LogP5.08
Rot. Bonds6

About (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine

(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine (PubChem CID 144726128) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine.

Molecular Properties

Compound Name(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine
PubChem CID144726128
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine
SMILES[H]N=C(/C=C(\C=C)C1=CCCC=C1)C(/C=C\C=C)=C/C
InChIInChI=1S/C18H21N/c1-4-7-11-15(5-2)18(19)14-16(6-3)17-12-9-8-10-13-17/h4-7,9,11-14,19H,1,3,8,10H2,2H3/b11-7-,15-5+,16-14+,19-18-
InChIKeyUCRFJHMDMGWAOK-PEVMXJSBSA-N
XLogP5.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.08
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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Frequently Asked Questions

What is the IUPAC name of (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine?
The IUPAC name of (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine (CID 144726128) is (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine.
What is the SMILES notation for (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine?
The canonical SMILES for (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine is [H]N=C(/C=C(\C=C)C1=CCCC=C1)C(/C=C\C=C)=C/C.
What is the InChIKey of (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine?
The InChIKey is UCRFJHMDMGWAOK-PEVMXJSBSA-N. The full InChI is InChI=1S/C18H21N/c1-4-7-11-15(5-2)18(19)14-16(6-3)17-12-9-8-10-13-17/h4-7,9,11-14,19H,1,3,8,10H2,2H3/b11-7-,15-5+,16-14+,19-18-.
What are the key properties of (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine?
(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine has a molecular weight of 251.37 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine is sourced from PubChem (CID 144726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).