(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine

C16H26FNOS — CID 129313547

IUPAC(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C/CSC1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C16H26FNOS/c1-3-7-13(16(19-2)15(18)12-17)8-6-11-20-14-9-4-5-10-14/h3,6-8,14-16H,1,4-5,9-12,18H2,2H3/b8-6-,13-7+
InChIKeyDOHGVOXDNUSORN-WNDPTYLVSA-N
MW299.46 g/mol
LogP3.64
Rot. Bonds9

About (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine

(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine (PubChem CID 129313547) has the molecular formula C16H26FNOS and a molecular weight of 299.46 g/mol. Its IUPAC name is (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine
PubChem CID129313547
Molecular FormulaC16H26FNOS
Molecular Weight299.46 g/mol
Exact Mass299.17
IUPAC Name(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C/CSC1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C16H26FNOS/c1-3-7-13(16(19-2)15(18)12-17)8-6-11-20-14-9-4-5-10-14/h3,6-8,14-16H,1,4-5,9-12,18H2,2H3/b8-6-,13-7+
InChIKeyDOHGVOXDNUSORN-WNDPTYLVSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-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 (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine?
The IUPAC name of (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine (CID 129313547) is (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine.
What is the SMILES notation for (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine?
The canonical SMILES for (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine is C=C/C=C(\C=C/CSC1CCCC1)C(OC)C(N)CF.
What is the InChIKey of (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine?
The InChIKey is DOHGVOXDNUSORN-WNDPTYLVSA-N. The full InChI is InChI=1S/C16H26FNOS/c1-3-7-13(16(19-2)15(18)12-17)8-6-11-20-14-9-4-5-10-14/h3,6-8,14-16H,1,4-5,9-12,18H2,2H3/b8-6-,13-7+.
What are the key properties of (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine?
(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine is sourced from PubChem (CID 129313547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).