1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine

C16H23FN2 — CID 146247173

IUPAC1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1=CC(C)=CC(F)=C=C1N1CCC(N(C)C)C1
InChIInChI=1S/C16H23FN2/c1-5-13-8-12(2)9-14(17)10-16(13)19-7-6-15(11-19)18(3)4/h8-9,15H,5-7,11H2,1-4H3
InChIKeyIXYQLYQMOMHWMP-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.25
Rot. Bonds3

About 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine

1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 146247173) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID146247173
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1=CC(C)=CC(F)=C=C1N1CCC(N(C)C)C1
InChIInChI=1S/C16H23FN2/c1-5-13-8-12(2)9-14(17)10-16(13)19-7-6-15(11-19)18(3)4/h8-9,15H,5-7,11H2,1-4H3
InChIKeyIXYQLYQMOMHWMP-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine (CID 146247173) is 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine is CCC1=CC(C)=CC(F)=C=C1N1CCC(N(C)C)C1.
What is the InChIKey of 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IXYQLYQMOMHWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-5-13-8-12(2)9-14(17)10-16(13)19-7-6-15(11-19)18(3)4/h8-9,15H,5-7,11H2,1-4H3.
What are the key properties of 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 262.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-3-fluoro-5-methylcyclohepta-1,2,4,6-tetraen-1-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 146247173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).