N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane

C19H26N2 — CID 143904574

IUPACN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane
SMILESC=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1.CC
InChIInChI=1S/C17H20N2.C2H6/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16;1-2/h3-7,9-10,12-13H,1,8,11,14H2,2H3;1-2H3/b6-4?,7-5-,16-12+,18-17+;
InChIKeyNWVWJPGGEQDDKW-AGGMSENGSA-N
MW282.43 g/mol
LogP4.66
Rot. Bonds3

About N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane

N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane (PubChem CID 143904574) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane.

Molecular Properties

Compound NameN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane
PubChem CID143904574
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane
SMILESC=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1.CC
InChIInChI=1S/C17H20N2.C2H6/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16;1-2/h3-7,9-10,12-13H,1,8,11,14H2,2H3;1-2H3/b6-4?,7-5-,16-12+,18-17+;
InChIKeyNWVWJPGGEQDDKW-AGGMSENGSA-N
XLogP4.66
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane?
The IUPAC name of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane (CID 143904574) is N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane.
What is the SMILES notation for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane?
The canonical SMILES for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane is C=Cn1c(C)ccc/c1=N\C/C1=C/CC=C/C=C\C1.CC.
What is the InChIKey of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane?
The InChIKey is NWVWJPGGEQDDKW-AGGMSENGSA-N. The full InChI is InChI=1S/C17H20N2.C2H6/c1-3-19-15(2)10-9-13-17(19)18-14-16-11-7-5-4-6-8-12-16;1-2/h3-7,9-10,12-13H,1,8,11,14H2,2H3;1-2H3/b6-4?,7-5-,16-12+,18-17+;.
What are the key properties of N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane?
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane has a molecular weight of 282.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane is sourced from PubChem (CID 143904574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).