ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane

C18H37FN2O2 — CID 143046247

IUPACethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane
SMILESC=C(/C=C(/F)C(=CC)N(C)CCN(C)C)OCC.CC.COC
InChIInChI=1S/C14H25FN2O.C2H6O.C2H6/c1-7-14(17(6)10-9-16(4)5)13(15)11-12(3)18-8-2;1-3-2;1-2/h7,11H,3,8-10H2,1-2,4-6H3;1-2H3;1-2H3/b13-11+,14-7?;;
InChIKeyRQYUSIDXCWKHLE-TZWFFARSSA-N
MW332.50 g/mol
LogP4.08
Rot. Bonds8

About ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane

ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane (PubChem CID 143046247) has the molecular formula C18H37FN2O2 and a molecular weight of 332.50 g/mol. Its IUPAC name is ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane.

Molecular Properties

Compound Nameethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane
PubChem CID143046247
Molecular FormulaC18H37FN2O2
Molecular Weight332.50 g/mol
Exact Mass332.28
IUPAC Nameethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane
SMILESC=C(/C=C(/F)C(=CC)N(C)CCN(C)C)OCC.CC.COC
InChIInChI=1S/C14H25FN2O.C2H6O.C2H6/c1-7-14(17(6)10-9-16(4)5)13(15)11-12(3)18-8-2;1-3-2;1-2/h7,11H,3,8-10H2,1-2,4-6H3;1-2H3;1-2H3/b13-11+,14-7?;;
InChIKeyRQYUSIDXCWKHLE-TZWFFARSSA-N
XLogP4.08
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
N-[2-[[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N,N'-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 162580850
2,2,2-trifluoro-N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylethanamine
CID 162582991
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
N,N,N'-trimethyl-N'-[(3Z)-5-(2-propan-2-yloxyethoxy)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 142099600
N'-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099639
N-[2-[4-[(3Z)-5-(2-methoxyethoxy)hexa-1,3,5-trien-2-yl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 143046244
ethane;N'-[(2E,4E)-2-fluoro-4-(2-methoxyethoxy)hexa-2,4-dienyl]-N,N,N'-trimethylethane-1,2-diamine;propane
CID 143431662
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143767738
ethane;1-N-[2-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl-methylamino]ethyl]-1-N-methylprop-2-ene-1,2-diamine
CID 165137620

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane?
The IUPAC name of ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane (CID 143046247) is ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane.
What is the SMILES notation for ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane?
The canonical SMILES for ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane is C=C(/C=C(/F)C(=CC)N(C)CCN(C)C)OCC.CC.COC.
What is the InChIKey of ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane?
The InChIKey is RQYUSIDXCWKHLE-TZWFFARSSA-N. The full InChI is InChI=1S/C14H25FN2O.C2H6O.C2H6/c1-7-14(17(6)10-9-16(4)5)13(15)11-12(3)18-8-2;1-3-2;1-2/h7,11H,3,8-10H2,1-2,4-6H3;1-2H3;1-2H3/b13-11+,14-7?;;.
What are the key properties of ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane?
ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane has a molecular weight of 332.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine;methoxymethane is sourced from PubChem (CID 143046247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).