N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine

C12H20FN — CID 130347406

IUPACN-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C12H20FN/c1-8(2)10(5)7-11(9(3)4)12(13)14-6/h7-9H,6H2,1-5H3/b10-7+,12-11+
InChIKeyUYYUXXJGTAWMKH-OFJXCKHESA-N
MW197.30 g/mol
LogP4.13
Rot. Bonds4

About N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine

N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine (PubChem CID 130347406) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
PubChem CID130347406
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(\C=C(/C)C(C)C)C(C)C
InChIInChI=1S/C12H20FN/c1-8(2)10(5)7-11(9(3)4)12(13)14-6/h7-9H,6H2,1-5H3/b10-7+,12-11+
InChIKeyUYYUXXJGTAWMKH-OFJXCKHESA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine with MolForge

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Related Compounds

N-(9-fluoro-2,4,6-trimethyl-5-methylidenedeca-3,6,8-trien-3-yl)methanimine
CID 123150964
N-(5-ethylidene-9-fluoro-2,4,6-trimethyldeca-3,6,8-trien-3-yl)methanimine
CID 123417513
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine (CID 130347406) is N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine is C=N/C(F)=C(\C=C(/C)C(C)C)C(C)C.
What is the InChIKey of N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The InChIKey is UYYUXXJGTAWMKH-OFJXCKHESA-N. The full InChI is InChI=1S/C12H20FN/c1-8(2)10(5)7-11(9(3)4)12(13)14-6/h7-9H,6H2,1-5H3/b10-7+,12-11+.
What are the key properties of N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine has a molecular weight of 197.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-1-fluoro-4,5-dimethyl-2-propan-2-ylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 130347406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).