(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine

C14H25FN2 — CID 167006446

IUPAC(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine
SMILESC/C=C/C=C\NC(CCC)/C(CNC)=C(\C)F
InChIInChI=1S/C14H25FN2/c1-5-7-8-10-17-14(9-6-2)13(11-16-4)12(3)15/h5,7-8,10,14,16-17H,6,9,11H2,1-4H3/b7-5+,10-8-,13-12+
InChIKeyIAPMDEFLEGETHC-GKLDWVADSA-N
MW240.37 g/mol
LogP3.30
Rot. Bonds8

About (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine

(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine (PubChem CID 167006446) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine.

Molecular Properties

Compound Name(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine
PubChem CID167006446
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine
SMILESC/C=C/C=C\NC(CCC)/C(CNC)=C(\C)F
InChIInChI=1S/C14H25FN2/c1-5-7-8-10-17-14(9-6-2)13(11-16-4)12(3)15/h5,7-8,10,14,16-17H,6,9,11H2,1-4H3/b7-5+,10-8-,13-12+
InChIKeyIAPMDEFLEGETHC-GKLDWVADSA-N
XLogP3.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine 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 (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine?
The IUPAC name of (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine (CID 167006446) is (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine.
What is the SMILES notation for (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine?
The canonical SMILES for (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine is C/C=C/C=C\NC(CCC)/C(CNC)=C(\C)F.
What is the InChIKey of (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine?
The InChIKey is IAPMDEFLEGETHC-GKLDWVADSA-N. The full InChI is InChI=1S/C14H25FN2/c1-5-7-8-10-17-14(9-6-2)13(11-16-4)12(3)15/h5,7-8,10,14,16-17H,6,9,11H2,1-4H3/b7-5+,10-8-,13-12+.
What are the key properties of (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine?
(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine has a molecular weight of 240.37 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine is sourced from PubChem (CID 167006446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).