N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine

C11H20FN — CID 171832973

IUPACN-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine
SMILESC/C=N/C(=C(\C)C(C)C)C(F)CC
InChIInChI=1S/C11H20FN/c1-6-10(12)11(13-7-2)9(5)8(3)4/h7-8,10H,6H2,1-5H3/b11-9+,13-7+
InChIKeyGEPIKWPONLLCEZ-KWVJHJQVSA-N
MW185.29 g/mol
LogP3.76
Rot. Bonds4

About N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine

N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine (PubChem CID 171832973) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine
PubChem CID171832973
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine
SMILESC/C=N/C(=C(\C)C(C)C)C(F)CC
InChIInChI=1S/C11H20FN/c1-6-10(12)11(13-7-2)9(5)8(3)4/h7-8,10H,6H2,1-5H3/b11-9+,13-7+
InChIKeyGEPIKWPONLLCEZ-KWVJHJQVSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine?
The IUPAC name of N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine (CID 171832973) is N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine.
What is the SMILES notation for N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine?
The canonical SMILES for N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine is C/C=N/C(=C(\C)C(C)C)C(F)CC.
What is the InChIKey of N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine?
The InChIKey is GEPIKWPONLLCEZ-KWVJHJQVSA-N. The full InChI is InChI=1S/C11H20FN/c1-6-10(12)11(13-7-2)9(5)8(3)4/h7-8,10H,6H2,1-5H3/b11-9+,13-7+.
What are the key properties of N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine?
N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine has a molecular weight of 185.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-fluoro-2,3-dimethylhept-3-en-4-yl]ethanimine is sourced from PubChem (CID 171832973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).