(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine

C10H18FN — CID 129037792

IUPAC(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
SMILESCC/N=C/C=C\C[C@H](F)C(C)C
InChIInChI=1S/C10H18FN/c1-4-12-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3/b6-5-,12-8+/t10-/m0/s1
InChIKeyUEQLJHFPSXXUCC-FVPWPNDESA-N
MW171.26 g/mol
LogP3.02
Rot. Bonds5

About (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine

(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine (PubChem CID 129037792) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine.

Molecular Properties

Compound Name(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
PubChem CID129037792
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
SMILESCC/N=C/C=C\C[C@H](F)C(C)C
InChIInChI=1S/C10H18FN/c1-4-12-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3/b6-5-,12-8+/t10-/m0/s1
InChIKeyUEQLJHFPSXXUCC-FVPWPNDESA-N
XLogP3.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.02
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 (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine?
The IUPAC name of (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine (CID 129037792) is (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine.
What is the SMILES notation for (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine?
The canonical SMILES for (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine is CC/N=C/C=C\C[C@H](F)C(C)C.
What is the InChIKey of (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine?
The InChIKey is UEQLJHFPSXXUCC-FVPWPNDESA-N. The full InChI is InChI=1S/C10H18FN/c1-4-12-8-6-5-7-10(11)9(2)3/h5-6,8-10H,4,7H2,1-3H3/b6-5-,12-8+/t10-/m0/s1.
What are the key properties of (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine?
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine has a molecular weight of 171.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine is sourced from PubChem (CID 129037792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).