N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine

C9H14FN — CID 143321312

IUPACN-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
SMILESC=N/C(=C\C(=C)F)CC(C)C
InChIInChI=1S/C9H14FN/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,3-5H2,1-2H3/b9-6-
InChIKeyAAWFIGBQRDOQDV-TWGQIWQCSA-N
MW155.22 g/mol
LogP3.10
Rot. Bonds4

About N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine

N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine (PubChem CID 143321312) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
PubChem CID143321312
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
SMILESC=N/C(=C\C(=C)F)CC(C)C
InChIInChI=1S/C9H14FN/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,3-5H2,1-2H3/b9-6-
InChIKeyAAWFIGBQRDOQDV-TWGQIWQCSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.10
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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Related Compounds

N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimine
CID 89198232
methyl N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethenyl]methanimidate
CID 89198243
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-[1-(6-fluoro-6-methylcyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298306
N-[1-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dienyl]methanimine
CID 123298650
(6-Fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium
CID 123643638
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
CID 130347406
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine?
The IUPAC name of N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine (CID 143321312) is N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine?
The canonical SMILES for N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine is C=N/C(=C\C(=C)F)CC(C)C.
What is the InChIKey of N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine?
The InChIKey is AAWFIGBQRDOQDV-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)5-9(11-4)6-8(3)10/h6-7H,3-5H2,1-2H3/b9-6-.
What are the key properties of N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine?
N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine is sourced from PubChem (CID 143321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).