N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine

C13H22FN — CID 178088574

IUPACN-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
SMILESCC/C=N/C=C\C(C)(/C=C\CF)C(C)C
InChIInChI=1S/C13H22FN/c1-5-10-15-11-8-13(4,12(2)3)7-6-9-14/h6-8,10-12H,5,9H2,1-4H3/b7-6-,11-8-,15-10+
InChIKeyFZJZYOQIVKUEEY-XBZBGQLSSA-N
MW211.32 g/mol
LogP4.17
Rot. Bonds6

About N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine

N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine (PubChem CID 178088574) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
PubChem CID178088574
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC NameN-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine
SMILESCC/C=N/C=C\C(C)(/C=C\CF)C(C)C
InChIInChI=1S/C13H22FN/c1-5-10-15-11-8-13(4,12(2)3)7-6-9-14/h6-8,10-12H,5,9H2,1-4H3/b7-6-,11-8-,15-10+
InChIKeyFZJZYOQIVKUEEY-XBZBGQLSSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.17
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'}

Analyze N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine with MolForge

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Related Compounds

3-(2-Fluoropropan-2-yl)-3-methylazepine
CID 138721121
(4Z,7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 153596987
(2R,3E)-2-ethyl-N-(4-fluoropent-1-en-2-yl)-2-methylhepta-3,6-dien-1-imine
CID 166755575
N-[(Z)-3,4-dimethylpent-1-enyl]-2-fluoroethanimine
CID 167254337
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
(7Z)-3-fluoro-3,6-dimethyl-6-propan-2-ylazocine
CID 174177002
3,6-ditert-butyl-3H-azepine
CID 10987408
3,5-ditert-butyl-3H-azepine
CID 134891208
(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
CID 142605613
3-tert-butyl-3H-pyrrole
CID 58615284
3-tert-butyl-3H-azepine
CID 101271169
3-Methyl-3-propan-2-ylazepine
CID 123434984

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine?
The IUPAC name of N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine (CID 178088574) is N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine?
The canonical SMILES for N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine is CC/C=N/C=C\C(C)(/C=C\CF)C(C)C.
What is the InChIKey of N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine?
The InChIKey is FZJZYOQIVKUEEY-XBZBGQLSSA-N. The full InChI is InChI=1S/C13H22FN/c1-5-10-15-11-8-13(4,12(2)3)7-6-9-14/h6-8,10-12H,5,9H2,1-4H3/b7-6-,11-8-,15-10+.
What are the key properties of N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine?
N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine has a molecular weight of 211.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,4Z)-6-fluoro-3-methyl-3-propan-2-ylhexa-1,4-dienyl]propan-1-imine is sourced from PubChem (CID 178088574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).