(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile

C11H16FN3 — CID 142959114

IUPAC(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
SMILESC=C(C#N)/C=C(/F)C(=C)N(C)CCNC
InChIInChI=1S/C11H16FN3/c1-9(8-13)7-11(12)10(2)15(4)6-5-14-3/h7,14H,1-2,5-6H2,3-4H3/b11-7+
InChIKeyNLEPIHBVHXGFJV-YRNVUSSQSA-N
MW209.27 g/mol
LogP1.58
Rot. Bonds6

About (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile

(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile (PubChem CID 142959114) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile.

Molecular Properties

Compound Name(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
PubChem CID142959114
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile
SMILESC=C(C#N)/C=C(/F)C(=C)N(C)CCNC
InChIInChI=1S/C11H16FN3/c1-9(8-13)7-11(12)10(2)15(4)6-5-14-3/h7,14H,1-2,5-6H2,3-4H3/b11-7+
InChIKeyNLEPIHBVHXGFJV-YRNVUSSQSA-N
XLogP1.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile 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-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 142930825
2-fluoro-1-N-methyl-1-N-[2-(methylamino)ethyl]cyclohepta-2,4,7-triene-1,4-diamine
CID 143599143
N,N'-dimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 145278555
6-(Dimethylamino)-3-fluoro-4-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
CID 163768903
(3E,5Z)-7-fluoro-4-(methylamino)-2-methylideneocta-3,5-dienenitrile
CID 170287216
N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
CID 143043423
(2E,4E)-4-ethenyl-3-[[[(E)-1-fluoroprop-1-en-2-yl]amino]methyl]-2-methylhexa-2,4-dienenitrile
CID 144137386
3-Fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
CID 154689470
3-amino-1-methyl-5-(trifluoromethyl)-2H-pyridine-6-carbonitrile
CID 162544050
2-[1-(2-Aminoethyl)-2,6-dimethyl-4-pyridinylidene]butanenitrile
CID 68343105
2-[1-(2-Aminoethyl)-2,6-dimethyl-4-pyridinylidene]propanedinitrile
CID 88968848
(2E,3Z)-5-(2-aminoethylamino)-2-ethylidenehexa-3,5-dienenitrile
CID 89057244

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile?
The IUPAC name of (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile (CID 142959114) is (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile.
What is the SMILES notation for (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile?
The canonical SMILES for (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile is C=C(C#N)/C=C(/F)C(=C)N(C)CCNC.
What is the InChIKey of (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile?
The InChIKey is NLEPIHBVHXGFJV-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H16FN3/c1-9(8-13)7-11(12)10(2)15(4)6-5-14-3/h7,14H,1-2,5-6H2,3-4H3/b11-7+.
What are the key properties of (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile?
(3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile has a molecular weight of 209.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2-methylidene-5-[methyl-[2-(methylamino)ethyl]amino]hexa-3,5-dienenitrile is sourced from PubChem (CID 142959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).