(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine

C16H30FN — CID 163433107

IUPAC(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
SMILES[H]/N=C(\C)C(CC(C)C)CC(CCC)/C(F)=C\CC
InChIInChI=1S/C16H30FN/c1-6-8-14(16(17)9-7-2)11-15(13(5)18)10-12(3)4/h9,12,14-15,18H,6-8,10-11H2,1-5H3/b16-9+,18-13+
InChIKeyASETZZJCIYKMFY-QCEWELCBSA-N
MW255.42 g/mol
LogP5.76
Rot. Bonds9

About (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine

(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine (PubChem CID 163433107) has the molecular formula C16H30FN and a molecular weight of 255.42 g/mol. Its IUPAC name is (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine.

Molecular Properties

Compound Name(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
PubChem CID163433107
Molecular FormulaC16H30FN
Molecular Weight255.42 g/mol
Exact Mass255.24
IUPAC Name(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
SMILES[H]/N=C(\C)C(CC(C)C)CC(CCC)/C(F)=C\CC
InChIInChI=1S/C16H30FN/c1-6-8-14(16(17)9-7-2)11-15(13(5)18)10-12(3)4/h9,12,14-15,18H,6-8,10-11H2,1-5H3/b16-9+,18-13+
InChIKeyASETZZJCIYKMFY-QCEWELCBSA-N
XLogP5.76
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
7-Fluoro-2,4-dimethylhept-5-en-3-imine
CID 132194355
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
3-(4-Heptan-3-ylcyclohex-2-en-1-yl)-1-(2,3,4,5,6-pentafluorocyclohexyl)butan-2-imine
CID 144314829
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004

Frequently Asked Questions

What is the IUPAC name of (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine?
The IUPAC name of (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine (CID 163433107) is (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine.
What is the SMILES notation for (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine?
The canonical SMILES for (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine is [H]/N=C(\C)C(CC(C)C)CC(CCC)/C(F)=C\CC.
What is the InChIKey of (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine?
The InChIKey is ASETZZJCIYKMFY-QCEWELCBSA-N. The full InChI is InChI=1S/C16H30FN/c1-6-8-14(16(17)9-7-2)11-15(13(5)18)10-12(3)4/h9,12,14-15,18H,6-8,10-11H2,1-5H3/b16-9+,18-13+.
What are the key properties of (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine?
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine has a molecular weight of 255.42 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine is sourced from PubChem (CID 163433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).