N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine

C13H22FN — CID 167004090

IUPACN-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/C(C)CCC(C)(C)F
InChIInChI=1S/C13H22FN/c1-11(8-9-13(3,4)14)6-7-12(2)10-15-5/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-,12-10-
InChIKeyPIMONELZTODFIS-CEHXRRPISA-N
MW211.32 g/mol
LogP4.31
Rot. Bonds6

About N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine

N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine (PubChem CID 167004090) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
PubChem CID167004090
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC NameN-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C/C(C)CCC(C)(C)F
InChIInChI=1S/C13H22FN/c1-11(8-9-13(3,4)14)6-7-12(2)10-15-5/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-,12-10-
InChIKeyPIMONELZTODFIS-CEHXRRPISA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.31
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,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine (CID 167004090) is N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine is C=N/C=C(C)\C=C/C(C)CCC(C)(C)F.
What is the InChIKey of N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine?
The InChIKey is PIMONELZTODFIS-CEHXRRPISA-N. The full InChI is InChI=1S/C13H22FN/c1-11(8-9-13(3,4)14)6-7-12(2)10-15-5/h6-7,10-11H,5,8-9H2,1-4H3/b7-6-,12-10-.
What are the key properties of N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine?
N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine has a molecular weight of 211.32 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine is sourced from PubChem (CID 167004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).