(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine

C8H13FN2 — CID 130256401

IUPAC(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
SMILESC=C/C(F)=C\C(N)=C/N(C)C
InChIInChI=1S/C8H13FN2/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1,10H2,2-3H3/b7-5+,8-6+
InChIKeyHIQQUFIKRJWNJL-KQQUZDAGSA-N
MW156.20 g/mol
LogP1.39
Rot. Bonds3

About (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine

(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine (PubChem CID 130256401) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
PubChem CID130256401
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
SMILESC=C/C(F)=C\C(N)=C/N(C)C
InChIInChI=1S/C8H13FN2/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1,10H2,2-3H3/b7-5+,8-6+
InChIKeyHIQQUFIKRJWNJL-KQQUZDAGSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-Methyl-1,6-dihydropyridin-3-amine
CID 11840957
Dihydro 4-dimethylamino pyridine
CID 424917
4-Amino-1-methylpyridine
CID 19022584
1-(trifluoromethyl)-2H-pyridin-4-amine
CID 66739849
(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
CID 88227504
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
CID 88874406
(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
CID 89025484
5-Fluoro-1-methyl-2-methylidenepyridine
CID 123408310
(1Z,3Z)-4-fluoro-1-N,3-N,3-N-trimethylhexa-1,3,5-triene-1,3-diamine
CID 126490173
4-N-(2-fluoroethyl)-4-N,1-dimethyl-2H-pyridine-2,4-diamine
CID 126635010
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine?
The IUPAC name of (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine (CID 130256401) is (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine is C=C/C(F)=C\C(N)=C/N(C)C.
What is the InChIKey of (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine?
The InChIKey is HIQQUFIKRJWNJL-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-7(9)5-8(10)6-11(2)3/h4-6H,1,10H2,2-3H3/b7-5+,8-6+.
What are the key properties of (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine?
(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine has a molecular weight of 156.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 130256401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).