(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine

C34H50FN — CID 126746019

IUPAC(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine
SMILESC=C/C=C(\C=C(/C)C/C(=C/C(N)=C(/C)C/C=C(/C)C=C)CC)C/C(=C/C=C(/C)C/C(C)=C\C)C(C)F
InChIInChI=1S/C34H50FN/c1-11-15-32(23-33(30(10)35)19-17-27(7)20-26(6)13-3)22-28(8)21-31(14-4)24-34(36)29(9)18-16-25(5)12-2/h11-13,15-17,19,22,24,30H,1-2,14,18,20-21,23,36H2,3-10H3/b25-16-,26-13-,27-17-,28-22+,31-24+,32-15+,33-19-,34-29+
InChIKeyKJSVNLIZIKOEIY-CMRCXAPHSA-N
MW491.78 g/mol
LogP10.50
Rot. Bonds15

About (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine

(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine (PubChem CID 126746019) has the molecular formula C34H50FN and a molecular weight of 491.78 g/mol. Its IUPAC name is (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine.

Molecular Properties

Compound Name(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine
PubChem CID126746019
Molecular FormulaC34H50FN
Molecular Weight491.78 g/mol
Exact Mass491.39
IUPAC Name(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine
SMILESC=C/C=C(\C=C(/C)C/C(=C/C(N)=C(/C)C/C=C(/C)C=C)CC)C/C(=C/C=C(/C)C/C(C)=C\C)C(C)F
InChIInChI=1S/C34H50FN/c1-11-15-32(23-33(30(10)35)19-17-27(7)20-26(6)13-3)22-28(8)21-31(14-4)24-34(36)29(9)18-16-25(5)12-2/h11-13,15-17,19,22,24,30H,1-2,14,18,20-21,23,36H2,3-10H3/b25-16-,26-13-,27-17-,28-22+,31-24+,32-15+,33-19-,34-29+
InChIKeyKJSVNLIZIKOEIY-CMRCXAPHSA-N
XLogP10.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.78
LogP ≤ 510.50
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'}

Analyze (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine?
The IUPAC name of (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine (CID 126746019) is (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine.
What is the SMILES notation for (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine?
The canonical SMILES for (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine is C=C/C=C(\C=C(/C)C/C(=C/C(N)=C(/C)C/C=C(/C)C=C)CC)C/C(=C/C=C(/C)C/C(C)=C\C)C(C)F.
What is the InChIKey of (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine?
The InChIKey is KJSVNLIZIKOEIY-CMRCXAPHSA-N. The full InChI is InChI=1S/C34H50FN/c1-11-15-32(23-33(30(10)35)19-17-27(7)20-26(6)13-3)22-28(8)21-31(14-4)24-34(36)29(9)18-16-25(5)12-2/h11-13,15-17,19,22,24,30H,1-2,14,18,20-21,23,36H2,3-10H3/b25-16-,26-13-,27-17-,28-22+,31-24+,32-15+,33-19-,34-29+.
What are the key properties of (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine?
(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine has a molecular weight of 491.78 g/mol, XLogP of 10.50, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine is sourced from PubChem (CID 126746019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).