N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine

C13H18FN — CID 142943366

IUPACN-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine
SMILESC=N/C=C\C(C)=C(/C)C/C=C(/C)C(=C)F
InChIInChI=1S/C13H18FN/c1-10(11(2)8-9-15-5)6-7-12(3)13(4)14/h7-9H,4-6H2,1-3H3/b9-8-,11-10+,12-7-
InChIKeyBBPKAGLIQVFWOY-LPEAOEIESA-N
MW207.29 g/mol
LogP4.36
Rot. Bonds5

About N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine

N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine (PubChem CID 142943366) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine
PubChem CID142943366
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC NameN-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine
SMILESC=N/C=C\C(C)=C(/C)C/C=C(/C)C(=C)F
InChIInChI=1S/C13H18FN/c1-10(11(2)8-9-15-5)6-7-12(3)13(4)14/h7-9H,4-6H2,1-3H3/b9-8-,11-10+,12-7-
InChIKeyBBPKAGLIQVFWOY-LPEAOEIESA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 54.36
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine?
The IUPAC name of N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine (CID 142943366) is N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine.
What is the SMILES notation for N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine?
The canonical SMILES for N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine is C=N/C=C\C(C)=C(/C)C/C=C(/C)C(=C)F.
What is the InChIKey of N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine?
The InChIKey is BBPKAGLIQVFWOY-LPEAOEIESA-N. The full InChI is InChI=1S/C13H18FN/c1-10(11(2)8-9-15-5)6-7-12(3)13(4)14/h7-9H,4-6H2,1-3H3/b9-8-,11-10+,12-7-.
What are the key properties of N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine?
N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine has a molecular weight of 207.29 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E,6Z)-8-fluoro-3,4,7-trimethylnona-1,3,6,8-tetraenyl]methanimine is sourced from PubChem (CID 142943366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).