(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine

C23H37FN2 — CID 166655955

IUPAC(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/CC)C12C=CC(CC(F)(CC)C(C)CN1CC)C2)NC
InChIInChI=1S/C23H37FN2/c1-7-11-21(25-6)14-20(8-2)23-13-12-19(16-23)15-22(24,9-3)18(5)17-26(23)10-4/h7,11-14,18-19,25H,1,8-10,15-17H2,2-6H3/b20-14+,21-11+
InChIKeyRZZKSZWQBNQJMH-OGXJSFTLSA-N
MW360.56 g/mol
LogP5.41
Rot. Bonds7

About (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine

(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine (PubChem CID 166655955) has the molecular formula C23H37FN2 and a molecular weight of 360.56 g/mol. Its IUPAC name is (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine
PubChem CID166655955
Molecular FormulaC23H37FN2
Molecular Weight360.56 g/mol
Exact Mass360.29
IUPAC Name(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/CC)C12C=CC(CC(F)(CC)C(C)CN1CC)C2)NC
InChIInChI=1S/C23H37FN2/c1-7-11-21(25-6)14-20(8-2)23-13-12-19(16-23)15-22(24,9-3)18(5)17-26(23)10-4/h7,11-14,18-19,25H,1,8-10,15-17H2,2-6H3/b20-14+,21-11+
InChIKeyRZZKSZWQBNQJMH-OGXJSFTLSA-N
XLogP5.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine (CID 166655955) is (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine is C=C/C=C(\C=C(/CC)C12C=CC(CC(F)(CC)C(C)CN1CC)C2)NC.
What is the InChIKey of (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine?
The InChIKey is RZZKSZWQBNQJMH-OGXJSFTLSA-N. The full InChI is InChI=1S/C23H37FN2/c1-7-11-21(25-6)14-20(8-2)23-13-12-19(16-23)15-22(24,9-3)18(5)17-26(23)10-4/h7,11-14,18-19,25H,1,8-10,15-17H2,2-6H3/b20-14+,21-11+.
What are the key properties of (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine?
(3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine has a molecular weight of 360.56 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(2,5-diethyl-5-fluoro-4-methyl-2-azabicyclo[5.2.1]dec-8-en-1-yl)-N-methylocta-1,3,5-trien-4-amine is sourced from PubChem (CID 166655955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).