N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline

C18H23N — CID 143963360

IUPACN-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
SMILESC=CC(=C)C(Nc1ccccc1)C(/C=C\CC)=C/C
InChIInChI=1S/C18H23N/c1-5-8-12-16(7-3)18(15(4)6-2)19-17-13-10-9-11-14-17/h6-14,18-19H,2,4-5H2,1,3H3/b12-8-,16-7+
InChIKeyQYXRILKUUNJGFV-COAJZOOHSA-N
MW253.39 g/mol
LogP5.12
Rot. Bonds7

About N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline

N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline (PubChem CID 143963360) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline.

Molecular Properties

Compound NameN-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
PubChem CID143963360
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline
SMILESC=CC(=C)C(Nc1ccccc1)C(/C=C\CC)=C/C
InChIInChI=1S/C18H23N/c1-5-8-12-16(7-3)18(15(4)6-2)19-17-13-10-9-11-14-17/h6-14,18-19H,2,4-5H2,1,3H3/b12-8-,16-7+
InChIKeyQYXRILKUUNJGFV-COAJZOOHSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline?
The IUPAC name of N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline (CID 143963360) is N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline.
What is the SMILES notation for N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline?
The canonical SMILES for N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline is C=CC(=C)C(Nc1ccccc1)C(/C=C\CC)=C/C.
What is the InChIKey of N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline?
The InChIKey is QYXRILKUUNJGFV-COAJZOOHSA-N. The full InChI is InChI=1S/C18H23N/c1-5-8-12-16(7-3)18(15(4)6-2)19-17-13-10-9-11-14-17/h6-14,18-19H,2,4-5H2,1,3H3/b12-8-,16-7+.
What are the key properties of N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline?
N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E,6Z)-5-ethylidene-3-methylidenenona-1,6-dien-4-yl]aniline is sourced from PubChem (CID 143963360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).