(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine

C9H14FN — CID 156542875

IUPAC(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C=C(/C)F)N(C)C
InChIInChI=1S/C9H14FN/c1-8(10)6-5-7-9(2)11(3)4/h5-7H,2H2,1,3-4H3/b7-5-,8-6+
InChIKeyGWARXGOUGJLNRU-CGXWXWIYSA-N
MW155.22 g/mol
LogP2.49
Rot. Bonds3

About (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine

(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine (PubChem CID 156542875) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine
PubChem CID156542875
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C=C(/C)F)N(C)C
InChIInChI=1S/C9H14FN/c1-8(10)6-5-7-9(2)11(3)4/h5-7H,2H2,1,3-4H3/b7-5-,8-6+
InChIKeyGWARXGOUGJLNRU-CGXWXWIYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-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 (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine (CID 156542875) is (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine is C=C(/C=C\C=C(/C)F)N(C)C.
What is the InChIKey of (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine?
The InChIKey is GWARXGOUGJLNRU-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H14FN/c1-8(10)6-5-7-9(2)11(3)4/h5-7H,2H2,1,3-4H3/b7-5-,8-6+.
What are the key properties of (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine?
(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 156542875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).