N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane

C24H41F3N2 — CID 143241849

IUPACN',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane
SMILESC=C/C=C(\C=C/CCNCCN(CC)CC)C(C=CCC(F)(F)F)=CCC.CC
InChIInChI=1S/C22H35F3N2.C2H6/c1-5-12-20(21(13-6-2)15-11-16-22(23,24)25)14-9-10-17-26-18-19-27(7-3)8-4;1-2/h5,9,11-15,26H,1,6-8,10,16-19H2,2-4H3;1-2H3/b14-9-,15-11-,20-12+,21-13+;
InChIKeyGWXFPHOLDVYHCI-FDHFFHLZSA-N
MW414.60 g/mol
LogP6.85
Rot. Bonds14

About N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane

N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane (PubChem CID 143241849) has the molecular formula C24H41F3N2 and a molecular weight of 414.60 g/mol. Its IUPAC name is N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane
PubChem CID143241849
Molecular FormulaC24H41F3N2
Molecular Weight414.60 g/mol
Exact Mass414.32
IUPAC NameN',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane
SMILESC=C/C=C(\C=C/CCNCCN(CC)CC)C(C=CCC(F)(F)F)=CCC.CC
InChIInChI=1S/C22H35F3N2.C2H6/c1-5-12-20(21(13-6-2)15-11-16-22(23,24)25)14-9-10-17-26-18-19-27(7-3)8-4;1-2/h5,9,11-15,26H,1,6-8,10,16-19H2,2-4H3;1-2H3/b14-9-,15-11-,20-12+,21-13+;
InChIKeyGWXFPHOLDVYHCI-FDHFFHLZSA-N
XLogP6.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane?
The IUPAC name of N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane (CID 143241849) is N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane.
What is the SMILES notation for N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane?
The canonical SMILES for N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane is C=C/C=C(\C=C/CCNCCN(CC)CC)C(C=CCC(F)(F)F)=CCC.CC.
What is the InChIKey of N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane?
The InChIKey is GWXFPHOLDVYHCI-FDHFFHLZSA-N. The full InChI is InChI=1S/C22H35F3N2.C2H6/c1-5-12-20(21(13-6-2)15-11-16-22(23,24)25)14-9-10-17-26-18-19-27(7-3)8-4;1-2/h5,9,11-15,26H,1,6-8,10,16-19H2,2-4H3;1-2H3/b14-9-,15-11-,20-12+,21-13+;.
What are the key properties of N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane?
N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane has a molecular weight of 414.60 g/mol, XLogP of 6.85, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(3Z,5E,6E,7Z)-10,10,10-trifluoro-5-prop-2-enylidene-6-propylidenedeca-3,7-dienyl]ethane-1,2-diamine;ethane is sourced from PubChem (CID 143241849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).