1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine

C16H22N2 — CID 170271348

IUPAC1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1C/C=C/C=C/CC/C=C\C
InChIInChI=1S/C16H22N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)14-16(18)17/h3-4,7-11,13-14,17H,5-6,12H2,1-2H3/b4-3-,8-7+,10-9+,17-16+
InChIKeyHREFCPRLVXSDFK-VNCGVKOFSA-N
MW242.37 g/mol
LogP3.74
Rot. Bonds6

About 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine

1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine (PubChem CID 170271348) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine.

Molecular Properties

Compound Name1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
PubChem CID170271348
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1C/C=C/C=C/CC/C=C\C
InChIInChI=1S/C16H22N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)14-16(18)17/h3-4,7-11,13-14,17H,5-6,12H2,1-2H3/b4-3-,8-7+,10-9+,17-16+
InChIKeyHREFCPRLVXSDFK-VNCGVKOFSA-N
XLogP3.74
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine 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 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine?
The IUPAC name of 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine (CID 170271348) is 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine.
What is the SMILES notation for 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine?
The canonical SMILES for 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine is [H]/N=c1\cc(C)ccn1C/C=C/C=C/CC/C=C\C.
What is the InChIKey of 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine?
The InChIKey is HREFCPRLVXSDFK-VNCGVKOFSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-4-5-6-7-8-9-10-12-18-13-11-15(2)14-16(18)17/h3-4,7-11,13-14,17H,5-6,12H2,1-2H3/b4-3-,8-7+,10-9+,17-16+.
What are the key properties of 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine?
1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine has a molecular weight of 242.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine is sourced from PubChem (CID 170271348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).