(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine

C9H14FN — CID 89099064

IUPAC(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
SMILESC/C(=C\C=C(/C=C)\F)/CCN
InChIInChI=1S/C9H14FN/c1-3-9(10)5-4-8(2)6-7-11/h3-5H,1,6-7,11H2,2H3/b8-4+,9-5+
InChIKeyJSPQIGPQXBNFOK-KBXRYBNXSA-N
MW155.21 g/mol
LogP2.20
Rot. Bonds4

About (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine

(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine (PubChem CID 89099064) has the molecular formula C9H14FN and a molecular weight of 155.21 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
PubChem CID89099064
Molecular FormulaC9H14FN
Molecular Weight155.21 g/mol
Exact Mass155.11
IUPAC Name(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
SMILESC/C(=C\C=C(/C=C)\F)/CCN
InChIInChI=1S/C9H14FN/c1-3-9(10)5-4-8(2)6-7-11/h3-5H,1,6-7,11H2,2H3/b8-4+,9-5+
InChIKeyJSPQIGPQXBNFOK-KBXRYBNXSA-N
XLogP2.20
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity180

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine?
The IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine (CID 89099064) is (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine is C/C(=C\C=C(/C=C)\F)/CCN.
What is the InChIKey of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine?
The InChIKey is JSPQIGPQXBNFOK-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H14FN/c1-3-9(10)5-4-8(2)6-7-11/h3-5H,1,6-7,11H2,2H3/b8-4+,9-5+.
What are the key properties of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine?
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine has a molecular weight of 155.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 89099064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).