4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane

C15H26FN — CID 134365685

IUPAC4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
SMILESCC/C=C(F)\C=C/C(C)C1CCCN(C)CC1
InChIInChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+
InChIKeyUEJNCBPRSOSOGA-GMLODJKISA-N
MW239.38 g/mol
LogP4.17
Rot. Bonds4

About 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane

4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane (PubChem CID 134365685) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane.

Molecular Properties

Compound Name4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
PubChem CID134365685
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane
SMILESCC/C=C(F)\C=C/C(C)C1CCCN(C)CC1
InChIInChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+
InChIKeyUEJNCBPRSOSOGA-GMLODJKISA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
4-fluoro-1-[(Z,2E)-3-methyl-2-propylidenehex-3-enyl]-4-prop-2-enylazepane
CID 130216894
4-(1-Ethyl-4-fluoroazepan-4-yl)cyclohepta-2,4,6-triene-1-carbonitrile
CID 130216942
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-1-methylazepane
CID 134365567
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
N-ethyl-3-(4-fluorocyclohexa-2,4-dien-1-yl)-N-iodobutan-1-amine
CID 134365587
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 134365605
(3R)-3-(5-fluorocyclohepta-1,3,4,6-tetraen-1-yl)-N-iodo-N-methylhexan-1-amine
CID 134365611
4-[(5-Fluorocyclohepta-1,2,4,6-tetraen-1-yl)methyl]-1-methylazepane
CID 134365668
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-1-methylpiperidine
CID 134365673
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The IUPAC name of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane (CID 134365685) is 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane.
What is the SMILES notation for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The canonical SMILES for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane is CC/C=C(F)\C=C/C(C)C1CCCN(C)CC1.
What is the InChIKey of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
The InChIKey is UEJNCBPRSOSOGA-GMLODJKISA-N. The full InChI is InChI=1S/C15H26FN/c1-4-6-15(16)9-8-13(2)14-7-5-11-17(3)12-10-14/h6,8-9,13-14H,4-5,7,10-12H2,1-3H3/b9-8-,15-6+.
What are the key properties of 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane?
4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane has a molecular weight of 239.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5E)-5-fluoroocta-3,5-dien-2-yl]-1-methylazepane is sourced from PubChem (CID 134365685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).