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

C19H41FN2O2 — CID 143431662

IUPACethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane
SMILESC/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC.CC.CCC
InChIInChI=1S/C14H27FN2O2.C3H8.C2H6/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3;1-3-2;1-2/h6,11H,7-10,12H2,1-5H3;3H2,1-2H3;1-2H3/b13-11+,14-6+;;
InChIKeyGRNQWPHLFMPPGA-BIJOUKIDSA-N
MW348.55 g/mol
LogP4.34
Rot. Bonds10

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

ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane (PubChem CID 143431662) has the molecular formula C19H41FN2O2 and a molecular weight of 348.55 g/mol. Its IUPAC name is ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane.

Molecular Properties

Compound Nameethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane
PubChem CID143431662
Molecular FormulaC19H41FN2O2
Molecular Weight348.55 g/mol
Exact Mass348.32
IUPAC Nameethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane
SMILESC/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC.CC.CCC
InChIInChI=1S/C14H27FN2O2.C3H8.C2H6/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3;1-3-2;1-2/h6,11H,7-10,12H2,1-5H3;3H2,1-2H3;1-2H3/b13-11+,14-6+;;
InChIKeyGRNQWPHLFMPPGA-BIJOUKIDSA-N
XLogP4.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.55
LogP ≤ 54.34
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane?
The IUPAC name of ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane (CID 143431662) is ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane.
What is the SMILES notation for ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane?
The canonical SMILES for ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane is C/C=C(\C=C(\F)CN(C)CCN(C)C)OCCOC.CC.CCC.
What is the InChIKey of ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane?
The InChIKey is GRNQWPHLFMPPGA-BIJOUKIDSA-N. The full InChI is InChI=1S/C14H27FN2O2.C3H8.C2H6/c1-6-14(19-10-9-18-5)11-13(15)12-17(4)8-7-16(2)3;1-3-2;1-2/h6,11H,7-10,12H2,1-5H3;3H2,1-2H3;1-2H3/b13-11+,14-6+;;.
What are the key properties of ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane?
ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane has a molecular weight of 348.55 g/mol, XLogP of 4.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane is sourced from PubChem (CID 143431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).