(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine

C26H36FN — CID 135266313

IUPAC(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
SMILESC=C/C(C)=C\C(=C/CF)C(=C)/C(C=C)=C(/C)N(CC)C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C26H36FN/c1-10-21(7)18-25(16-17-27)22(8)26(12-3)23(9)28(13-4)19-24(11-2)15-14-20(5)6/h10-12,14-16,18H,1-3,8,13,17,19H2,4-7,9H3/b21-18-,24-15+,25-16+,26-23-
InChIKeyJLZGEZBWAPJJAM-JTEIFDLBSA-N
MW381.58 g/mol
LogP7.43
Rot. Bonds12

About (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine

(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine (PubChem CID 135266313) has the molecular formula C26H36FN and a molecular weight of 381.58 g/mol. Its IUPAC name is (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine.

Molecular Properties

Compound Name(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
PubChem CID135266313
Molecular FormulaC26H36FN
Molecular Weight381.58 g/mol
Exact Mass381.28
IUPAC Name(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
SMILESC=C/C(C)=C\C(=C/CF)C(=C)/C(C=C)=C(/C)N(CC)C/C(C=C)=C/C=C(C)C
InChIInChI=1S/C26H36FN/c1-10-21(7)18-25(16-17-27)22(8)26(12-3)23(9)28(13-4)19-24(11-2)15-14-20(5)6/h10-12,14-16,18H,1-3,8,13,17,19H2,4-7,9H3/b21-18-,24-15+,25-16+,26-23-
InChIKeyJLZGEZBWAPJJAM-JTEIFDLBSA-N
XLogP7.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine?
The IUPAC name of (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine (CID 135266313) is (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine.
What is the SMILES notation for (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine?
The canonical SMILES for (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine is C=C/C(C)=C\C(=C/CF)C(=C)/C(C=C)=C(/C)N(CC)C/C(C=C)=C/C=C(C)C.
What is the InChIKey of (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine?
The InChIKey is JLZGEZBWAPJJAM-JTEIFDLBSA-N. The full InChI is InChI=1S/C26H36FN/c1-10-21(7)18-25(16-17-27)22(8)26(12-3)23(9)28(13-4)19-24(11-2)15-14-20(5)6/h10-12,14-16,18H,1-3,8,13,17,19H2,4-7,9H3/b21-18-,24-15+,25-16+,26-23-.
What are the key properties of (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine?
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine has a molecular weight of 381.58 g/mol, XLogP of 7.43, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine is sourced from PubChem (CID 135266313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).