N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine

C17H24FN — CID 175609255

IUPACN-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine
SMILESC=CC(C)(CCCC(C)C)/N=C/c1ccccc1F
InChIInChI=1S/C17H24FN/c1-5-17(4,12-8-9-14(2)3)19-13-15-10-6-7-11-16(15)18/h5-7,10-11,13-14H,1,8-9,12H2,2-4H3/b19-13+
InChIKeyRSPHHFOGYDDNAF-CPNJWEJPSA-N
MW261.38 g/mol
LogP5.02
Rot. Bonds7

About N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine

N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine (PubChem CID 175609255) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine
PubChem CID175609255
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine
SMILESC=CC(C)(CCCC(C)C)/N=C/c1ccccc1F
InChIInChI=1S/C17H24FN/c1-5-17(4,12-8-9-14(2)3)19-13-15-10-6-7-11-16(15)18/h5-7,10-11,13-14H,1,8-9,12H2,2-4H3/b19-13+
InChIKeyRSPHHFOGYDDNAF-CPNJWEJPSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.38
LogP ≤ 55.02
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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Related Compounds

1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
CID 175609254
2-[(2-fluorophenyl)methylideneamino]-N-(2-methylpropyl)acetamide
CID 19700399
boric acid;2,3-dimethylbutane-2,3-diol;1-ethenyl-2-fluorobenzene
CID 175435744
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
CID 175463116
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
1-[1-chloro-2-(chloromethyl)-5-methylhexan-2-yl]-2-fluorobenzene
CID 79453500
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 7703301

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine?
The IUPAC name of N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine (CID 175609255) is N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine.
What is the SMILES notation for N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine?
The canonical SMILES for N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine is C=CC(C)(CCCC(C)C)/N=C/c1ccccc1F.
What is the InChIKey of N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine?
The InChIKey is RSPHHFOGYDDNAF-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H24FN/c1-5-17(4,12-8-9-14(2)3)19-13-15-10-6-7-11-16(15)18/h5-7,10-11,13-14H,1,8-9,12H2,2-4H3/b19-13+.
What are the key properties of N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine?
N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine has a molecular weight of 261.38 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyloct-1-en-3-yl)-1-(2-fluorophenyl)methanimine is sourced from PubChem (CID 175609255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).