(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine

C13H22FN — CID 137467773

IUPAC(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
SMILESC=C/C(=C\C=C\F)CC(C)C(C)N(C)C
InChIInChI=1S/C13H22FN/c1-6-13(8-7-9-14)10-11(2)12(3)15(4)5/h6-9,11-12H,1,10H2,2-5H3/b9-7+,13-8+
InChIKeyPJVKKOBGIVPVIY-AVPQAVFTSA-N
MW211.32 g/mol
LogP3.56
Rot. Bonds6

About (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine

(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine (PubChem CID 137467773) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
PubChem CID137467773
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
SMILESC=C/C(=C\C=C\F)CC(C)C(C)N(C)C
InChIInChI=1S/C13H22FN/c1-6-13(8-7-9-14)10-11(2)12(3)15(4)5/h6-9,11-12H,1,10H2,2-5H3/b9-7+,13-8+
InChIKeyPJVKKOBGIVPVIY-AVPQAVFTSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-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 (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine?
The IUPAC name of (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine (CID 137467773) is (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine.
What is the SMILES notation for (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine?
The canonical SMILES for (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine is C=C/C(=C\C=C\F)CC(C)C(C)N(C)C.
What is the InChIKey of (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine?
The InChIKey is PJVKKOBGIVPVIY-AVPQAVFTSA-N. The full InChI is InChI=1S/C13H22FN/c1-6-13(8-7-9-14)10-11(2)12(3)15(4)5/h6-9,11-12H,1,10H2,2-5H3/b9-7+,13-8+.
What are the key properties of (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine?
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine has a molecular weight of 211.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine is sourced from PubChem (CID 137467773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).