N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine

C14H27FN2O2 — CID 143431663

IUPACN'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC
InChIInChI=1S/C14H27FN2O2/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3/h6,11H,7-10,12H2,1-5H3/b13-11+,14-6+
InChIKeyHDMMDCVHRGKXMB-LGIZEKQVSA-N
MW274.38 g/mol
LogP1.90
Rot. Bonds10

About N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 143431663) has the molecular formula C14H27FN2O2 and a molecular weight of 274.38 g/mol. Its IUPAC name is N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID143431663
Molecular FormulaC14H27FN2O2
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC NameN'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESC/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC
InChIInChI=1S/C14H27FN2O2/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3/h6,11H,7-10,12H2,1-5H3/b13-11+,14-6+
InChIKeyHDMMDCVHRGKXMB-LGIZEKQVSA-N
XLogP1.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-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

N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099639
ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane
CID 143431662

Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine (CID 143431663) is N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine is C/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC.
What is the InChIKey of N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is HDMMDCVHRGKXMB-LGIZEKQVSA-N. The full InChI is InChI=1S/C14H27FN2O2/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3/h6,11H,7-10,12H2,1-5H3/b13-11+,14-6+.
What are the key properties of N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 274.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 143431663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).