1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine

C16H23FN2 — CID 134321901

IUPAC1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine
SMILESC=C(NC)C1C2=CC(C2)C2=C(CC2)C(F)CNC1C
InChIInChI=1S/C16H23FN2/c1-9(18-3)16-10(2)19-8-15(17)14-5-4-13(14)11-6-12(16)7-11/h6,10-11,15-16,18-19H,1,4-5,7-8H2,2-3H3
InChIKeyVZHNIOOXXMEQHA-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.70
Rot. Bonds2

About 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine

1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine (PubChem CID 134321901) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine
PubChem CID134321901
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine
SMILESC=C(NC)C1C2=CC(C2)C2=C(CC2)C(F)CNC1C
InChIInChI=1S/C16H23FN2/c1-9(18-3)16-10(2)19-8-15(17)14-5-4-13(14)11-6-12(16)7-11/h6,10-11,15-16,18-19H,1,4-5,7-8H2,2-3H3
InChIKeyVZHNIOOXXMEQHA-UHFFFAOYSA-N
XLogP2.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine?
The IUPAC name of 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine (CID 134321901) is 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine.
What is the SMILES notation for 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine?
The canonical SMILES for 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine is C=C(NC)C1C2=CC(C2)C2=C(CC2)C(F)CNC1C.
What is the InChIKey of 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine?
The InChIKey is VZHNIOOXXMEQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-9(18-3)16-10(2)19-8-15(17)14-5-4-13(14)11-6-12(16)7-11/h6,10-11,15-16,18-19H,1,4-5,7-8H2,2-3H3.
What are the key properties of 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine?
1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine has a molecular weight of 262.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine is sourced from PubChem (CID 134321901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).