(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine

C18H26F3N — CID 139506706

IUPAC(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine
SMILESC=C(CC/C(=C\C)C(F)(F)F)C(/C=C(\C)CN)=C/C=C/CC
InChIInChI=1S/C18H26F3N/c1-5-7-8-9-16(12-14(3)13-22)15(4)10-11-17(6-2)18(19,20)21/h6-9,12H,4-5,10-11,13,22H2,1-3H3/b8-7+,14-12+,16-9+,17-6+
InChIKeyBTHACPFHXDKQCG-ZHSHASEYSA-N
MW313.41 g/mol
LogP5.63
Rot. Bonds8

About (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine

(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine (PubChem CID 139506706) has the molecular formula C18H26F3N and a molecular weight of 313.41 g/mol. Its IUPAC name is (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine.

Molecular Properties

Compound Name(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine
PubChem CID139506706
Molecular FormulaC18H26F3N
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine
SMILESC=C(CC/C(=C\C)C(F)(F)F)C(/C=C(\C)CN)=C/C=C/CC
InChIInChI=1S/C18H26F3N/c1-5-7-8-9-16(12-14(3)13-22)15(4)10-11-17(6-2)18(19,20)21/h6-9,12H,4-5,10-11,13,22H2,1-3H3/b8-7+,14-12+,16-9+,17-6+
InChIKeyBTHACPFHXDKQCG-ZHSHASEYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.41
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine?
The IUPAC name of (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine (CID 139506706) is (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine.
What is the SMILES notation for (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine?
The canonical SMILES for (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine is C=C(CC/C(=C\C)C(F)(F)F)C(/C=C(\C)CN)=C/C=C/CC.
What is the InChIKey of (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine?
The InChIKey is BTHACPFHXDKQCG-ZHSHASEYSA-N. The full InChI is InChI=1S/C18H26F3N/c1-5-7-8-9-16(12-14(3)13-22)15(4)10-11-17(6-2)18(19,20)21/h6-9,12H,4-5,10-11,13,22H2,1-3H3/b8-7+,14-12+,16-9+,17-6+.
What are the key properties of (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine?
(2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine has a molecular weight of 313.41 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E)-2-methyl-5-methylidene-4-[(E)-pent-2-enylidene]-8-(trifluoromethyl)deca-2,8-dien-1-amine is sourced from PubChem (CID 139506706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).