N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine

C12H20FN — CID 129172083

IUPACN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(\F)CCC)CCC
InChIInChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+
InChIKeyYSCVMERIORZBHI-UBLOARBOSA-N
MW197.30 g/mol
LogP4.41
Rot. Bonds6

About N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine

N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine (PubChem CID 129172083) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
PubChem CID129172083
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(\F)CCC)CCC
InChIInChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+
InChIKeyYSCVMERIORZBHI-UBLOARBOSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 54.41
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)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine (CID 129172083) is N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine is C/C=N/C=C(\C=C(\F)CCC)CCC.
What is the InChIKey of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The InChIKey is YSCVMERIORZBHI-UBLOARBOSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+.
What are the key properties of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine has a molecular weight of 197.30 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine is sourced from PubChem (CID 129172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).