(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine

C11H18FNO — CID 166943959

IUPAC(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C(/C)F)OC(C)C
InChIInChI=1S/C11H18FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,13H,1H2,2-5H3/b9-7+,11-10-
InChIKeyWSYSFHYERAXNJW-GLYMIEGHSA-N
MW199.27 g/mol
LogP2.90
Rot. Bonds5

About (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine

(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine (PubChem CID 166943959) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine
PubChem CID166943959
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C(/C)F)OC(C)C
InChIInChI=1S/C11H18FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,13H,1H2,2-5H3/b9-7+,11-10-
InChIKeyWSYSFHYERAXNJW-GLYMIEGHSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-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-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine (CID 166943959) is (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine is C=C/C(NC)=C(\C=C(/C)F)OC(C)C.
What is the InChIKey of (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine?
The InChIKey is WSYSFHYERAXNJW-GLYMIEGHSA-N. The full InChI is InChI=1S/C11H18FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,13H,1H2,2-5H3/b9-7+,11-10-.
What are the key properties of (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine?
(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine has a molecular weight of 199.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 166943959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).