N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine

C11H20FN — CID 134379330

IUPACN-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine
SMILESC=NC(C(C)/C(C)=C\C)C(C)(C)F
InChIInChI=1S/C11H20FN/c1-7-8(2)9(3)10(13-6)11(4,5)12/h7,9-10H,6H2,1-5H3/b8-7-
InChIKeyBWYZETQCFUAALG-FPLPWBNLSA-N
MW185.29 g/mol
LogP3.41
Rot. Bonds4

About N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine

N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine (PubChem CID 134379330) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine
PubChem CID134379330
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC NameN-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine
SMILESC=NC(C(C)/C(C)=C\C)C(C)(C)F
InChIInChI=1S/C11H20FN/c1-7-8(2)9(3)10(13-6)11(4,5)12/h7,9-10H,6H2,1-5H3/b8-7-
InChIKeyBWYZETQCFUAALG-FPLPWBNLSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine?
The IUPAC name of N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine (CID 134379330) is N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine?
The canonical SMILES for N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine is C=NC(C(C)/C(C)=C\C)C(C)(C)F.
What is the InChIKey of N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine?
The InChIKey is BWYZETQCFUAALG-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20FN/c1-7-8(2)9(3)10(13-6)11(4,5)12/h7,9-10H,6H2,1-5H3/b8-7-.
What are the key properties of N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine?
N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine has a molecular weight of 185.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-fluoro-2,4,5-trimethylhept-5-en-3-yl]methanimine is sourced from PubChem (CID 134379330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).