(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine

C17H25N — CID 123293045

IUPAC(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
SMILESC=C(/N=C(/C=C\C)CC)/C(C)=C/C(C=CC)=CC
InChIInChI=1S/C17H25N/c1-7-11-16(9-3)13-14(5)15(6)18-17(10-4)12-8-2/h7-9,11-13H,6,10H2,1-5H3/b11-7?,12-8-,14-13+,16-9?,18-17+
InChIKeyGUWVIUDVWJUEDS-VTIKLKLOSA-N
MW243.39 g/mol
LogP5.40
Rot. Bonds6

About (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine

(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine (PubChem CID 123293045) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
PubChem CID123293045
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine
SMILESC=C(/N=C(/C=C\C)CC)/C(C)=C/C(C=CC)=CC
InChIInChI=1S/C17H25N/c1-7-11-16(9-3)13-14(5)15(6)18-17(10-4)12-8-2/h7-9,11-13H,6,10H2,1-5H3/b11-7?,12-8-,14-13+,16-9?,18-17+
InChIKeyGUWVIUDVWJUEDS-VTIKLKLOSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.40
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'}

Analyze (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine with MolForge

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Launch Full Analysis

Related Compounds

2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(3E,5E)-6-fluoro-N-[(E)-pent-2-en-4-yn-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
CID 129210535
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 134989464
2-Methyl-6-methylene indole
CID 177865505
(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-5,5,5-trifluoro-4-methylpent-3-en-2-imine
CID 142147282

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine?
The IUPAC name of (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine (CID 123293045) is (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine.
What is the SMILES notation for (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine?
The canonical SMILES for (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine is C=C(/N=C(/C=C\C)CC)/C(C)=C/C(C=CC)=CC.
What is the InChIKey of (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine?
The InChIKey is GUWVIUDVWJUEDS-VTIKLKLOSA-N. The full InChI is InChI=1S/C17H25N/c1-7-11-16(9-3)13-14(5)15(6)18-17(10-4)12-8-2/h7-9,11-13H,6,10H2,1-5H3/b11-7?,12-8-,14-13+,16-9?,18-17+.
What are the key properties of (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine?
(Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine has a molecular weight of 243.39 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3E)-5-ethylidene-3-methylocta-1,3,6-trien-2-yl]hex-4-en-3-imine is sourced from PubChem (CID 123293045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).