(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine

C22H30F3N — CID 139376902

IUPAC(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C)C/C(C(=C)C)=C(\N)CC)C(=CCC)C(=C)C(F)(F)F
InChIInChI=1S/C22H30F3N/c1-8-11-19(17(7)22(23,24)25)18(9-2)13-12-16(6)14-20(15(4)5)21(26)10-3/h9,11-13H,2,4,7-8,10,14,26H2,1,3,5-6H3/b16-12+,18-13+,19-11+,21-20+
InChIKeyNWUXSHNLTKXYRL-FYUBNUPSSA-N
MW365.48 g/mol
LogP7.09
Rot. Bonds9

About (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine

(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine (PubChem CID 139376902) has the molecular formula C22H30F3N and a molecular weight of 365.48 g/mol. Its IUPAC name is (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine.

Molecular Properties

Compound Name(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine
PubChem CID139376902
Molecular FormulaC22H30F3N
Molecular Weight365.48 g/mol
Exact Mass365.23
IUPAC Name(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C)C/C(C(=C)C)=C(\N)CC)C(=CCC)C(=C)C(F)(F)F
InChIInChI=1S/C22H30F3N/c1-8-11-19(17(7)22(23,24)25)18(9-2)13-12-16(6)14-20(15(4)5)21(26)10-3/h9,11-13H,2,4,7-8,10,14,26H2,1,3,5-6H3/b16-12+,18-13+,19-11+,21-20+
InChIKeyNWUXSHNLTKXYRL-FYUBNUPSSA-N
XLogP7.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine?
The IUPAC name of (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine (CID 139376902) is (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine.
What is the SMILES notation for (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine?
The canonical SMILES for (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine is C=C/C(=C\C=C(/C)C/C(C(=C)C)=C(\N)CC)C(=CCC)C(=C)C(F)(F)F.
What is the InChIKey of (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine?
The InChIKey is NWUXSHNLTKXYRL-FYUBNUPSSA-N. The full InChI is InChI=1S/C22H30F3N/c1-8-11-19(17(7)22(23,24)25)18(9-2)13-12-16(6)14-20(15(4)5)21(26)10-3/h9,11-13H,2,4,7-8,10,14,26H2,1,3,5-6H3/b16-12+,18-13+,19-11+,21-20+.
What are the key properties of (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine?
(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine has a molecular weight of 365.48 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine is sourced from PubChem (CID 139376902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).